USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 808 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 85 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 89 THR OG1 : rot 180:sc= -0.675 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.587 K(o=-0.59,f=-2.3) USER MOD Single : A 8 SER OG : rot 180:sc= -0.545 USER MOD Single : A 10 SER OG : rot 18:sc= 1.22 USER MOD Single : A 12 LYS NZ :NH3+ -126:sc= 0.0722 (180deg=-0.572) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 20 THR OG1 : rot -40:sc= -3.33! USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= -0.85 USER MOD Single : A 36 SER OG : rot 180:sc= 0.157 USER MOD Single : A 38 ASN : amide:sc= 0.522 K(o=0.52,f=-4.8!) USER MOD Single : A 39 ASN : amide:sc= -0.0174 X(o=-0.017,f=-0.33) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0.00336 USER MOD Single : A 50 HIS : no HD1:sc= -0.115 X(o=-0.12,f=-0.5) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -1.76 K(o=-1.8,f=-0.52) USER MOD Single : A 65 GLN : amide:sc= -3.79! C(o=-3.8!,f=-8.4!) USER MOD Single : A 66 TYR OH : rot -52:sc= 1.06 USER MOD Single : A 67 LYS NZ :NH3+ 162:sc= -0.0333 (180deg=-0.317) USER MOD Single : A 73 GLN : amide:sc=-0.00119 X(o=-0.0012,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -1.84! K(o=-1.8!,f=-0.81) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= -0.176 X(o=-0.18,f=-0.5) USER MOD Single : A 91 ASN : amide:sc= -1.03 K(o=-1,f=-3.8!) USER MOD Single : A 92 ASN : amide:sc= -4.35 K(o=-4.4,f=-6.2!) USER MOD Single : A 95 HIS : no HE2:sc= -1.36 K(o=-1.4,f=-6!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ -120:sc= 0.337 (180deg=-1.16) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 1.330 0.000 0.000 1.00 73.32 N ATOM 2 CA GLY A 1 2.071 0.001 -1.247 1.00 74.42 C ATOM 3 C GLY A 1 3.054 1.152 -1.336 1.00 41.14 C ATOM 4 O GLY A 1 2.816 2.126 -2.049 1.00 32.12 O ATOM 0 H1 GLY A 1 0.672 -0.805 0.012 1.00 73.32 H new ATOM 0 H2 GLY A 1 1.993 -0.082 0.797 1.00 73.32 H new ATOM 0 H3 GLY A 1 0.793 0.887 0.086 1.00 73.32 H new ATOM 0 HA2 GLY A 1 2.610 -0.941 -1.347 1.00 74.42 H new ATOM 0 HA3 GLY A 1 1.372 0.059 -2.081 1.00 74.42 H new ATOM 8 N ALA A 2 4.162 1.040 -0.610 1.00 22.42 N ATOM 9 CA ALA A 2 5.184 2.079 -0.611 1.00 14.31 C ATOM 10 C ALA A 2 6.157 1.890 -1.769 1.00 21.20 C ATOM 11 O ALA A 2 7.055 1.051 -1.707 1.00 54.32 O ATOM 12 CB ALA A 2 5.932 2.084 0.714 1.00 30.43 C ATOM 0 H ALA A 2 4.374 0.240 -0.014 1.00 22.42 H new ATOM 0 HA ALA A 2 4.689 3.042 -0.740 1.00 14.31 H new ATOM 0 HB1 ALA A 2 6.692 2.865 0.700 1.00 30.43 H new ATOM 0 HB2 ALA A 2 5.231 2.275 1.527 1.00 30.43 H new ATOM 0 HB3 ALA A 2 6.409 1.116 0.866 1.00 30.43 H new ATOM 18 N MET A 3 5.973 2.677 -2.825 1.00 21.15 N ATOM 19 CA MET A 3 6.837 2.596 -3.997 1.00 32.52 C ATOM 20 C MET A 3 8.053 3.503 -3.840 1.00 1.14 C ATOM 21 O MET A 3 9.163 3.033 -3.596 1.00 34.44 O ATOM 22 CB MET A 3 6.058 2.979 -5.257 1.00 70.51 C ATOM 23 CG MET A 3 5.313 1.815 -5.889 1.00 63.43 C ATOM 24 SD MET A 3 3.843 2.340 -6.792 1.00 73.22 S ATOM 25 CE MET A 3 2.646 1.138 -6.217 1.00 34.44 C ATOM 0 H MET A 3 5.234 3.377 -2.893 1.00 21.15 H new ATOM 0 HA MET A 3 7.185 1.567 -4.092 1.00 32.52 H new ATOM 0 HB2 MET A 3 5.344 3.764 -5.008 1.00 70.51 H new ATOM 0 HB3 MET A 3 6.749 3.397 -5.989 1.00 70.51 H new ATOM 0 HG2 MET A 3 5.982 1.286 -6.568 1.00 63.43 H new ATOM 0 HG3 MET A 3 5.024 1.108 -5.111 1.00 63.43 H new ATOM 0 HE1 MET A 3 1.682 1.331 -6.687 1.00 34.44 H new ATOM 0 HE2 MET A 3 2.983 0.135 -6.478 1.00 34.44 H new ATOM 0 HE3 MET A 3 2.544 1.216 -5.135 1.00 34.44 H new ATOM 35 N GLY A 4 7.835 4.807 -3.983 1.00 71.02 N ATOM 36 CA GLY A 4 8.923 5.759 -3.855 1.00 21.21 C ATOM 37 C GLY A 4 8.448 7.124 -3.399 1.00 32.32 C ATOM 38 O GLY A 4 7.373 7.578 -3.792 1.00 73.13 O ATOM 0 H GLY A 4 6.925 5.221 -4.185 1.00 71.02 H new ATOM 0 HA2 GLY A 4 9.655 5.376 -3.144 1.00 21.21 H new ATOM 0 HA3 GLY A 4 9.431 5.856 -4.814 1.00 21.21 H new ATOM 42 N ILE A 5 9.249 7.780 -2.566 1.00 25.33 N ATOM 43 CA ILE A 5 8.903 9.101 -2.056 1.00 35.52 C ATOM 44 C ILE A 5 10.101 10.043 -2.112 1.00 41.41 C ATOM 45 O ILE A 5 11.244 9.621 -1.933 1.00 32.33 O ATOM 46 CB ILE A 5 8.389 9.028 -0.606 1.00 44.05 C ATOM 47 CG1 ILE A 5 7.222 8.044 -0.504 1.00 32.31 C ATOM 48 CG2 ILE A 5 7.969 10.408 -0.122 1.00 63.14 C ATOM 49 CD1 ILE A 5 6.035 8.424 -1.361 1.00 72.53 C ATOM 0 H ILE A 5 10.142 7.418 -2.230 1.00 25.33 H new ATOM 0 HA ILE A 5 8.109 9.488 -2.695 1.00 35.52 H new ATOM 0 HB ILE A 5 9.197 8.671 0.032 1.00 44.05 H new ATOM 0 HG12 ILE A 5 7.567 7.052 -0.795 1.00 32.31 H new ATOM 0 HG13 ILE A 5 6.903 7.978 0.536 1.00 32.31 H new ATOM 0 HG21 ILE A 5 7.608 10.339 0.904 1.00 63.14 H new ATOM 0 HG22 ILE A 5 8.824 11.083 -0.162 1.00 63.14 H new ATOM 0 HG23 ILE A 5 7.174 10.791 -0.761 1.00 63.14 H new ATOM 0 HD11 ILE A 5 5.246 7.682 -1.239 1.00 72.53 H new ATOM 0 HD12 ILE A 5 5.664 9.402 -1.055 1.00 72.53 H new ATOM 0 HD13 ILE A 5 6.339 8.462 -2.407 1.00 72.53 H new ATOM 61 N ARG A 6 9.832 11.320 -2.359 1.00 74.21 N ATOM 62 CA ARG A 6 10.888 12.323 -2.437 1.00 35.21 C ATOM 63 C ARG A 6 10.627 13.465 -1.459 1.00 33.14 C ATOM 64 O ARG A 6 9.726 13.388 -0.626 1.00 23.44 O ATOM 65 CB ARG A 6 10.995 12.871 -3.861 1.00 14.54 C ATOM 66 CG ARG A 6 11.145 11.790 -4.920 1.00 13.20 C ATOM 67 CD ARG A 6 12.409 10.973 -4.707 1.00 32.21 C ATOM 68 NE ARG A 6 12.495 9.847 -5.633 1.00 15.01 N ATOM 69 CZ ARG A 6 13.402 8.881 -5.534 1.00 41.31 C ATOM 70 NH1 ARG A 6 14.295 8.904 -4.553 1.00 20.30 N1+ ATOM 71 NH2 ARG A 6 13.417 7.890 -6.415 1.00 20.21 N ATOM 0 H ARG A 6 8.892 11.685 -2.509 1.00 74.21 H new ATOM 0 HA ARG A 6 11.830 11.845 -2.167 1.00 35.21 H new ATOM 0 HB2 ARG A 6 10.107 13.463 -4.081 1.00 14.54 H new ATOM 0 HB3 ARG A 6 11.849 13.545 -3.919 1.00 14.54 H new ATOM 0 HG2 ARG A 6 10.277 11.132 -4.895 1.00 13.20 H new ATOM 0 HG3 ARG A 6 11.169 12.249 -5.909 1.00 13.20 H new ATOM 0 HD2 ARG A 6 13.281 11.614 -4.834 1.00 32.21 H new ATOM 0 HD3 ARG A 6 12.433 10.602 -3.682 1.00 32.21 H new ATOM 0 HE ARG A 6 11.822 9.799 -6.398 1.00 15.01 H new ATOM 0 HH11 ARG A 6 14.286 9.664 -3.873 1.00 20.30 H new ATOM 0 HH12 ARG A 6 14.990 8.161 -4.479 1.00 20.30 H new ATOM 0 HH21 ARG A 6 12.732 7.868 -7.170 1.00 20.21 H new ATOM 0 HH22 ARG A 6 14.114 7.149 -6.338 1.00 20.21 H new ATOM 85 N ASN A 7 11.423 14.524 -1.569 1.00 22.05 N ATOM 86 CA ASN A 7 11.279 15.681 -0.694 1.00 41.24 C ATOM 87 C ASN A 7 11.777 16.949 -1.382 1.00 31.14 C ATOM 88 O ASN A 7 12.336 16.894 -2.477 1.00 14.33 O ATOM 89 CB ASN A 7 12.048 15.460 0.611 1.00 62.11 C ATOM 90 CG ASN A 7 11.478 16.266 1.762 1.00 21.54 C ATOM 91 OD1 ASN A 7 10.261 16.397 1.900 1.00 44.51 O ATOM 92 ND2 ASN A 7 12.357 16.811 2.595 1.00 3.12 N ATOM 0 H ASN A 7 12.174 14.604 -2.255 1.00 22.05 H new ATOM 0 HA ASN A 7 10.220 15.803 -0.467 1.00 41.24 H new ATOM 0 HB2 ASN A 7 12.027 14.401 0.867 1.00 62.11 H new ATOM 0 HB3 ASN A 7 13.093 15.731 0.464 1.00 62.11 H new ATOM 0 HD21 ASN A 7 12.033 17.365 3.388 1.00 3.12 H new ATOM 0 HD22 ASN A 7 13.356 16.676 2.442 1.00 3.12 H new ATOM 99 N SER A 8 11.572 18.089 -0.731 1.00 24.22 N ATOM 100 CA SER A 8 11.997 19.371 -1.281 1.00 22.12 C ATOM 101 C SER A 8 12.732 20.196 -0.229 1.00 52.21 C ATOM 102 O SER A 8 13.051 19.702 0.852 1.00 13.32 O ATOM 103 CB SER A 8 10.789 20.151 -1.805 1.00 33.23 C ATOM 104 OG SER A 8 10.060 20.737 -0.741 1.00 33.12 O ATOM 0 H SER A 8 11.114 18.151 0.178 1.00 24.22 H new ATOM 0 HA SER A 8 12.680 19.176 -2.107 1.00 22.12 H new ATOM 0 HB2 SER A 8 11.124 20.928 -2.492 1.00 33.23 H new ATOM 0 HB3 SER A 8 10.139 19.484 -2.371 1.00 33.23 H new ATOM 0 HG SER A 8 9.294 21.231 -1.102 1.00 33.12 H new ATOM 110 N ASP A 9 12.997 21.456 -0.555 1.00 22.51 N ATOM 111 CA ASP A 9 13.694 22.352 0.360 1.00 21.32 C ATOM 112 C ASP A 9 13.090 23.753 0.315 1.00 15.34 C ATOM 113 O ASP A 9 12.154 24.011 -0.440 1.00 53.40 O ATOM 114 CB ASP A 9 15.183 22.414 0.014 1.00 63.52 C ATOM 115 CG ASP A 9 16.053 22.633 1.235 1.00 15.42 C ATOM 116 OD1 ASP A 9 15.657 22.189 2.334 1.00 63.00 O ATOM 117 OD2 ASP A 9 17.131 23.246 1.093 1.00 72.34 O1- ATOM 0 H ASP A 9 12.740 21.880 -1.446 1.00 22.51 H new ATOM 0 HA ASP A 9 13.580 21.959 1.370 1.00 21.32 H new ATOM 0 HB2 ASP A 9 15.478 21.486 -0.477 1.00 63.52 H new ATOM 0 HB3 ASP A 9 15.354 23.220 -0.699 1.00 63.52 H new ATOM 122 N SER A 10 13.632 24.652 1.130 1.00 51.35 N ATOM 123 CA SER A 10 13.144 26.025 1.187 1.00 53.41 C ATOM 124 C SER A 10 14.128 26.921 1.932 1.00 5.23 C ATOM 125 O SER A 10 14.843 26.469 2.827 1.00 2.34 O ATOM 126 CB SER A 10 11.775 26.074 1.868 1.00 3.51 C ATOM 127 OG SER A 10 10.746 25.688 0.974 1.00 14.25 O ATOM 0 H SER A 10 14.409 24.454 1.760 1.00 51.35 H new ATOM 0 HA SER A 10 13.047 26.393 0.165 1.00 53.41 H new ATOM 0 HB2 SER A 10 11.773 25.414 2.736 1.00 3.51 H new ATOM 0 HB3 SER A 10 11.583 27.083 2.234 1.00 3.51 H new ATOM 0 HG SER A 10 11.135 25.202 0.218 1.00 14.25 H new ATOM 133 N VAL A 11 14.159 28.196 1.556 1.00 42.41 N ATOM 134 CA VAL A 11 15.054 29.158 2.188 1.00 30.25 C ATOM 135 C VAL A 11 14.357 29.888 3.331 1.00 41.31 C ATOM 136 O VAL A 11 13.161 30.173 3.263 1.00 21.42 O ATOM 137 CB VAL A 11 15.573 30.193 1.173 1.00 54.01 C ATOM 138 CG1 VAL A 11 14.443 31.098 0.708 1.00 73.13 C ATOM 139 CG2 VAL A 11 16.707 31.008 1.777 1.00 11.35 C ATOM 0 H VAL A 11 13.574 28.586 0.817 1.00 42.41 H new ATOM 0 HA VAL A 11 15.898 28.593 2.583 1.00 30.25 H new ATOM 0 HB VAL A 11 15.961 29.662 0.304 1.00 54.01 H new ATOM 0 HG11 VAL A 11 14.829 31.823 -0.009 1.00 73.13 H new ATOM 0 HG12 VAL A 11 13.667 30.497 0.234 1.00 73.13 H new ATOM 0 HG13 VAL A 11 14.022 31.624 1.565 1.00 73.13 H new ATOM 0 HG21 VAL A 11 17.062 31.735 1.046 1.00 11.35 H new ATOM 0 HG22 VAL A 11 16.347 31.531 2.663 1.00 11.35 H new ATOM 0 HG23 VAL A 11 17.525 30.343 2.055 1.00 11.35 H new ATOM 149 N LYS A 12 15.113 30.189 4.381 1.00 62.13 N ATOM 150 CA LYS A 12 14.570 30.889 5.540 1.00 73.34 C ATOM 151 C LYS A 12 15.419 32.108 5.887 1.00 3.33 C ATOM 152 O LYS A 12 16.172 32.113 6.861 1.00 14.33 O ATOM 153 CB LYS A 12 14.497 29.946 6.743 1.00 2.21 C ATOM 154 CG LYS A 12 13.807 28.627 6.441 1.00 61.00 C ATOM 155 CD LYS A 12 12.349 28.833 6.065 1.00 54.34 C ATOM 156 CE LYS A 12 11.732 27.561 5.505 1.00 72.12 C ATOM 157 NZ LYS A 12 11.621 26.496 6.540 1.00 15.34 N1+ ATOM 0 H LYS A 12 16.104 29.959 4.454 1.00 62.13 H new ATOM 0 HA LYS A 12 13.565 31.228 5.290 1.00 73.34 H new ATOM 0 HB2 LYS A 12 15.508 29.745 7.098 1.00 2.21 H new ATOM 0 HB3 LYS A 12 13.968 30.446 7.554 1.00 2.21 H new ATOM 0 HG2 LYS A 12 14.326 28.122 5.626 1.00 61.00 H new ATOM 0 HG3 LYS A 12 13.870 27.975 7.312 1.00 61.00 H new ATOM 0 HD2 LYS A 12 11.788 29.155 6.942 1.00 54.34 H new ATOM 0 HD3 LYS A 12 12.272 29.631 5.327 1.00 54.34 H new ATOM 0 HE2 LYS A 12 10.743 27.783 5.105 1.00 72.12 H new ATOM 0 HE3 LYS A 12 12.338 27.199 4.675 1.00 72.12 H new ATOM 0 HZ1 LYS A 12 12.082 25.629 6.197 1.00 15.34 H new ATOM 0 HZ2 LYS A 12 12.085 26.813 7.415 1.00 15.34 H new ATOM 0 HZ3 LYS A 12 10.618 26.301 6.732 1.00 15.34 H new ATOM 171 N PRO A 13 15.295 33.167 5.073 1.00 65.41 N ATOM 172 CA PRO A 13 16.042 34.412 5.276 1.00 11.50 C ATOM 173 C PRO A 13 15.569 35.178 6.506 1.00 11.34 C ATOM 174 O PRO A 13 14.727 34.697 7.265 1.00 73.15 O ATOM 175 CB PRO A 13 15.751 35.211 4.003 1.00 0.34 C ATOM 176 CG PRO A 13 14.444 34.686 3.517 1.00 53.31 C ATOM 177 CD PRO A 13 14.417 33.231 3.893 1.00 75.22 C ATOM 0 HA PRO A 13 17.103 34.228 5.447 1.00 11.50 H new ATOM 0 HB2 PRO A 13 15.696 36.280 4.210 1.00 0.34 H new ATOM 0 HB3 PRO A 13 16.535 35.070 3.259 1.00 0.34 H new ATOM 0 HG2 PRO A 13 13.613 35.223 3.975 1.00 53.31 H new ATOM 0 HG3 PRO A 13 14.349 34.812 2.438 1.00 53.31 H new ATOM 0 HD2 PRO A 13 13.407 32.895 4.125 1.00 75.22 H new ATOM 0 HD3 PRO A 13 14.785 32.600 3.084 1.00 75.22 H new ATOM 185 N THR A 14 16.116 36.375 6.699 1.00 50.15 N ATOM 186 CA THR A 14 15.750 37.207 7.838 1.00 1.34 C ATOM 187 C THR A 14 15.259 38.577 7.382 1.00 54.32 C ATOM 188 O THR A 14 16.031 39.380 6.859 1.00 63.22 O ATOM 189 CB THR A 14 16.938 37.395 8.801 1.00 4.25 C ATOM 190 OG1 THR A 14 18.171 37.327 8.077 1.00 32.32 O ATOM 191 CG2 THR A 14 16.924 36.333 9.890 1.00 71.31 C ATOM 0 H THR A 14 16.814 36.789 6.081 1.00 50.15 H new ATOM 0 HA THR A 14 14.945 36.691 8.362 1.00 1.34 H new ATOM 0 HB THR A 14 16.846 38.375 9.270 1.00 4.25 H new ATOM 0 HG1 THR A 14 18.921 37.449 8.696 1.00 32.32 H new ATOM 0 HG21 THR A 14 17.772 36.486 10.558 1.00 71.31 H new ATOM 0 HG22 THR A 14 15.997 36.407 10.458 1.00 71.31 H new ATOM 0 HG23 THR A 14 16.994 35.345 9.435 1.00 71.31 H new ATOM 199 N GLN A 15 13.972 38.836 7.585 1.00 40.52 N ATOM 200 CA GLN A 15 13.379 40.110 7.194 1.00 43.15 C ATOM 201 C GLN A 15 12.254 40.502 8.148 1.00 33.21 C ATOM 202 O GLN A 15 12.076 39.885 9.198 1.00 53.53 O ATOM 203 CB GLN A 15 12.845 40.030 5.763 1.00 31.55 C ATOM 204 CG GLN A 15 13.849 39.466 4.770 1.00 43.34 C ATOM 205 CD GLN A 15 13.411 39.649 3.330 1.00 4.04 C ATOM 206 OE1 GLN A 15 12.296 40.096 3.060 1.00 13.04 O ATOM 207 NE2 GLN A 15 14.289 39.303 2.396 1.00 54.10 N ATOM 0 H GLN A 15 13.320 38.182 8.017 1.00 40.52 H new ATOM 0 HA GLN A 15 14.155 40.874 7.243 1.00 43.15 H new ATOM 0 HB2 GLN A 15 11.949 39.410 5.753 1.00 31.55 H new ATOM 0 HB3 GLN A 15 12.547 41.027 5.439 1.00 31.55 H new ATOM 0 HG2 GLN A 15 14.813 39.953 4.917 1.00 43.34 H new ATOM 0 HG3 GLN A 15 13.995 38.404 4.969 1.00 43.34 H new ATOM 0 HE21 GLN A 15 15.202 38.937 2.665 1.00 54.10 H new ATOM 0 HE22 GLN A 15 14.050 39.404 1.409 1.00 54.10 H new ATOM 216 N GLN A 16 11.500 41.531 7.774 1.00 34.12 N ATOM 217 CA GLN A 16 10.394 42.005 8.597 1.00 54.22 C ATOM 218 C GLN A 16 9.300 40.947 8.700 1.00 30.53 C ATOM 219 O GLN A 16 8.809 40.653 9.790 1.00 42.22 O ATOM 220 CB GLN A 16 9.817 43.298 8.017 1.00 60.44 C ATOM 221 CG GLN A 16 10.878 44.294 7.579 1.00 73.51 C ATOM 222 CD GLN A 16 10.356 45.717 7.528 1.00 50.44 C ATOM 223 OE1 GLN A 16 9.162 45.946 7.335 1.00 75.13 O ATOM 224 NE2 GLN A 16 11.251 46.683 7.701 1.00 74.11 N ATOM 0 H GLN A 16 11.635 42.052 6.907 1.00 34.12 H new ATOM 0 HA GLN A 16 10.777 42.203 9.598 1.00 54.22 H new ATOM 0 HB2 GLN A 16 9.185 43.053 7.163 1.00 60.44 H new ATOM 0 HB3 GLN A 16 9.176 43.767 8.763 1.00 60.44 H new ATOM 0 HG2 GLN A 16 11.723 44.245 8.266 1.00 73.51 H new ATOM 0 HG3 GLN A 16 11.251 44.012 6.594 1.00 73.51 H new ATOM 0 HE21 GLN A 16 12.231 46.448 7.858 1.00 74.11 H new ATOM 0 HE22 GLN A 16 10.958 47.660 7.677 1.00 74.11 H new ATOM 233 N ALA A 17 8.923 40.380 7.560 1.00 72.44 N ATOM 234 CA ALA A 17 7.888 39.354 7.522 1.00 21.42 C ATOM 235 C ALA A 17 8.275 38.153 8.378 1.00 22.12 C ATOM 236 O ALA A 17 9.012 37.273 7.933 1.00 4.12 O ATOM 237 CB ALA A 17 7.627 38.920 6.088 1.00 42.13 C ATOM 0 H ALA A 17 9.319 40.614 6.649 1.00 72.44 H new ATOM 0 HA ALA A 17 6.973 39.781 7.933 1.00 21.42 H new ATOM 0 HB1 ALA A 17 6.852 38.154 6.075 1.00 42.13 H new ATOM 0 HB2 ALA A 17 7.298 39.778 5.502 1.00 42.13 H new ATOM 0 HB3 ALA A 17 8.543 38.516 5.657 1.00 42.13 H new ATOM 243 N ARG A 18 7.774 38.123 9.609 1.00 33.52 N ATOM 244 CA ARG A 18 8.069 37.030 10.528 1.00 13.22 C ATOM 245 C ARG A 18 7.587 35.698 9.961 1.00 32.13 C ATOM 246 O ARG A 18 6.515 35.601 9.364 1.00 45.04 O ATOM 247 CB ARG A 18 7.413 37.286 11.886 1.00 74.21 C ATOM 248 CG ARG A 18 5.911 37.053 11.891 1.00 51.14 C ATOM 249 CD ARG A 18 5.565 35.660 12.391 1.00 72.54 C ATOM 250 NE ARG A 18 6.060 35.426 13.745 1.00 24.34 N ATOM 251 CZ ARG A 18 5.425 35.831 14.839 1.00 34.35 C ATOM 252 NH1 ARG A 18 4.278 36.488 14.739 1.00 13.44 N1+ ATOM 253 NH2 ARG A 18 5.939 35.581 16.037 1.00 44.41 N ATOM 0 H ARG A 18 7.162 38.843 9.993 1.00 33.52 H new ATOM 0 HA ARG A 18 9.150 36.980 10.658 1.00 13.22 H new ATOM 0 HB2 ARG A 18 7.875 36.638 12.631 1.00 74.21 H new ATOM 0 HB3 ARG A 18 7.614 38.314 12.189 1.00 74.21 H new ATOM 0 HG2 ARG A 18 5.428 37.798 12.523 1.00 51.14 H new ATOM 0 HG3 ARG A 18 5.518 37.187 10.883 1.00 51.14 H new ATOM 0 HD2 ARG A 18 4.483 35.526 12.372 1.00 72.54 H new ATOM 0 HD3 ARG A 18 5.990 34.917 11.716 1.00 72.54 H new ATOM 0 HE ARG A 18 6.941 34.924 13.857 1.00 24.34 H new ATOM 0 HH11 ARG A 18 3.881 36.684 13.820 1.00 13.44 H new ATOM 0 HH12 ARG A 18 3.793 36.798 15.581 1.00 13.44 H new ATOM 0 HH21 ARG A 18 6.822 35.077 16.118 1.00 44.41 H new ATOM 0 HH22 ARG A 18 5.451 35.892 16.877 1.00 44.41 H new ATOM 267 N PRO A 19 8.396 34.646 10.151 1.00 42.30 N ATOM 268 CA PRO A 19 8.073 33.300 9.667 1.00 72.54 C ATOM 269 C PRO A 19 6.914 32.671 10.433 1.00 40.44 C ATOM 270 O PRO A 19 6.826 32.790 11.655 1.00 14.01 O ATOM 271 CB PRO A 19 9.364 32.515 9.912 1.00 10.11 C ATOM 272 CG PRO A 19 10.040 33.236 11.028 1.00 63.22 C ATOM 273 CD PRO A 19 9.689 34.688 10.855 1.00 44.21 C ATOM 0 HA PRO A 19 7.754 33.308 8.625 1.00 72.54 H new ATOM 0 HB2 PRO A 19 9.153 31.480 10.180 1.00 10.11 H new ATOM 0 HB3 PRO A 19 9.989 32.492 9.019 1.00 10.11 H new ATOM 0 HG2 PRO A 19 9.700 32.865 11.995 1.00 63.22 H new ATOM 0 HG3 PRO A 19 11.119 33.088 10.991 1.00 63.22 H new ATOM 0 HD2 PRO A 19 9.607 35.199 11.815 1.00 44.21 H new ATOM 0 HD3 PRO A 19 10.445 35.218 10.275 1.00 44.21 H new ATOM 281 N THR A 20 6.025 32.001 9.706 1.00 65.22 N ATOM 282 CA THR A 20 4.871 31.354 10.317 1.00 1.42 C ATOM 283 C THR A 20 5.106 29.858 10.487 1.00 44.04 C ATOM 284 O THR A 20 5.222 29.122 9.507 1.00 14.52 O ATOM 285 CB THR A 20 3.597 31.570 9.478 1.00 74.14 C ATOM 286 OG1 THR A 20 3.479 32.950 9.113 1.00 14.13 O ATOM 287 CG2 THR A 20 2.360 31.137 10.251 1.00 21.30 C ATOM 0 H THR A 20 6.082 31.893 8.693 1.00 65.22 H new ATOM 0 HA THR A 20 4.734 31.811 11.297 1.00 1.42 H new ATOM 0 HB THR A 20 3.674 30.962 8.577 1.00 74.14 H new ATOM 0 HG1 THR A 20 3.743 33.513 9.871 1.00 14.13 H new ATOM 0 HG21 THR A 20 1.473 31.299 9.638 1.00 21.30 H new ATOM 0 HG22 THR A 20 2.440 30.079 10.502 1.00 21.30 H new ATOM 0 HG23 THR A 20 2.280 31.722 11.167 1.00 21.30 H new ATOM 295 N VAL A 21 5.174 29.413 11.738 1.00 72.24 N ATOM 296 CA VAL A 21 5.393 28.002 12.037 1.00 21.13 C ATOM 297 C VAL A 21 4.095 27.321 12.453 1.00 13.22 C ATOM 298 O VAL A 21 3.304 27.880 13.213 1.00 54.24 O ATOM 299 CB VAL A 21 6.437 27.821 13.155 1.00 64.20 C ATOM 300 CG1 VAL A 21 6.025 28.593 14.399 1.00 41.02 C ATOM 301 CG2 VAL A 21 6.627 26.346 13.471 1.00 62.22 C ATOM 0 H VAL A 21 5.081 30.009 12.561 1.00 72.24 H new ATOM 0 HA VAL A 21 5.766 27.539 11.124 1.00 21.13 H new ATOM 0 HB VAL A 21 7.390 28.220 12.808 1.00 64.20 H new ATOM 0 HG11 VAL A 21 6.774 28.454 15.178 1.00 41.02 H new ATOM 0 HG12 VAL A 21 5.944 29.653 14.159 1.00 41.02 H new ATOM 0 HG13 VAL A 21 5.061 28.226 14.752 1.00 41.02 H new ATOM 0 HG21 VAL A 21 7.368 26.236 14.263 1.00 62.22 H new ATOM 0 HG22 VAL A 21 5.679 25.919 13.799 1.00 62.22 H new ATOM 0 HG23 VAL A 21 6.970 25.824 12.578 1.00 62.22 H new ATOM 311 N ILE A 22 3.882 26.109 11.950 1.00 3.43 N ATOM 312 CA ILE A 22 2.679 25.350 12.272 1.00 12.44 C ATOM 313 C ILE A 22 3.022 23.913 12.652 1.00 32.43 C ATOM 314 O ILE A 22 3.787 23.243 11.960 1.00 24.12 O ATOM 315 CB ILE A 22 1.691 25.335 11.091 1.00 33.05 C ATOM 316 CG1 ILE A 22 1.490 26.751 10.547 1.00 70.13 C ATOM 317 CG2 ILE A 22 0.362 24.733 11.521 1.00 52.15 C ATOM 318 CD1 ILE A 22 0.532 26.819 9.379 1.00 60.50 C ATOM 0 H ILE A 22 4.526 25.632 11.319 1.00 3.43 H new ATOM 0 HA ILE A 22 2.210 25.846 13.122 1.00 12.44 H new ATOM 0 HB ILE A 22 2.108 24.717 10.296 1.00 33.05 H new ATOM 0 HG12 ILE A 22 1.119 27.390 11.348 1.00 70.13 H new ATOM 0 HG13 ILE A 22 2.455 27.154 10.239 1.00 70.13 H new ATOM 0 HG21 ILE A 22 -0.326 24.729 10.676 1.00 52.15 H new ATOM 0 HG22 ILE A 22 0.520 23.711 11.865 1.00 52.15 H new ATOM 0 HG23 ILE A 22 -0.061 25.327 12.331 1.00 52.15 H new ATOM 0 HD11 ILE A 22 0.438 27.852 9.045 1.00 60.50 H new ATOM 0 HD12 ILE A 22 0.912 26.207 8.561 1.00 60.50 H new ATOM 0 HD13 ILE A 22 -0.445 26.447 9.688 1.00 60.50 H new ATOM 330 N ARG A 23 2.448 23.447 13.757 1.00 11.32 N ATOM 331 CA ARG A 23 2.692 22.089 14.229 1.00 71.41 C ATOM 332 C ARG A 23 1.533 21.168 13.858 1.00 72.25 C ATOM 333 O ARG A 23 0.377 21.591 13.825 1.00 15.13 O ATOM 334 CB ARG A 23 2.896 22.083 15.745 1.00 10.01 C ATOM 335 CG ARG A 23 3.282 20.723 16.302 1.00 51.15 C ATOM 336 CD ARG A 23 3.566 20.792 17.795 1.00 13.14 C ATOM 337 NE ARG A 23 3.176 19.565 18.484 1.00 73.24 N ATOM 338 CZ ARG A 23 3.002 19.483 19.798 1.00 1.22 C ATOM 339 NH1 ARG A 23 3.181 20.552 20.561 1.00 61.23 N1+ ATOM 340 NH2 ARG A 23 2.648 18.330 20.351 1.00 60.42 N ATOM 0 H ARG A 23 1.812 23.989 14.341 1.00 11.32 H new ATOM 0 HA ARG A 23 3.596 21.720 13.745 1.00 71.41 H new ATOM 0 HB2 ARG A 23 3.672 22.805 16.002 1.00 10.01 H new ATOM 0 HB3 ARG A 23 1.978 22.417 16.228 1.00 10.01 H new ATOM 0 HG2 ARG A 23 2.478 20.011 16.116 1.00 51.15 H new ATOM 0 HG3 ARG A 23 4.164 20.352 15.780 1.00 51.15 H new ATOM 0 HD2 ARG A 23 4.629 20.975 17.954 1.00 13.14 H new ATOM 0 HD3 ARG A 23 3.029 21.637 18.227 1.00 13.14 H new ATOM 0 HE ARG A 23 3.029 18.724 17.925 1.00 73.24 H new ATOM 0 HH11 ARG A 23 3.453 21.440 20.139 1.00 61.23 H new ATOM 0 HH12 ARG A 23 3.047 20.487 21.570 1.00 61.23 H new ATOM 0 HH21 ARG A 23 2.509 17.505 19.767 1.00 60.42 H new ATOM 0 HH22 ARG A 23 2.515 18.268 21.360 1.00 60.42 H new ATOM 354 N TRP A 24 1.852 19.910 13.578 1.00 3.23 N ATOM 355 CA TRP A 24 0.837 18.929 13.208 1.00 15.23 C ATOM 356 C TRP A 24 0.915 17.700 14.107 1.00 63.45 C ATOM 357 O TRP A 24 2.003 17.236 14.448 1.00 54.01 O ATOM 358 CB TRP A 24 1.006 18.517 11.745 1.00 72.25 C ATOM 359 CG TRP A 24 0.153 17.348 11.355 1.00 3.34 C ATOM 360 CD1 TRP A 24 0.582 16.093 11.031 1.00 34.04 C ATOM 361 CD2 TRP A 24 -1.274 17.328 11.245 1.00 1.53 C ATOM 362 NE1 TRP A 24 -0.493 15.293 10.727 1.00 1.41 N ATOM 363 CE2 TRP A 24 -1.643 16.026 10.852 1.00 15.10 C ATOM 364 CE3 TRP A 24 -2.276 18.281 11.444 1.00 14.44 C ATOM 365 CZ2 TRP A 24 -2.970 15.658 10.652 1.00 13.31 C ATOM 366 CZ3 TRP A 24 -3.594 17.913 11.245 1.00 61.15 C ATOM 367 CH2 TRP A 24 -3.931 16.611 10.853 1.00 33.23 C ATOM 0 H TRP A 24 2.804 19.545 13.600 1.00 3.23 H new ATOM 0 HA TRP A 24 -0.142 19.390 13.338 1.00 15.23 H new ATOM 0 HB2 TRP A 24 0.762 19.365 11.106 1.00 72.25 H new ATOM 0 HB3 TRP A 24 2.052 18.271 11.563 1.00 72.25 H new ATOM 0 HD1 TRP A 24 1.614 15.776 11.016 1.00 34.04 H new ATOM 0 HE1 TRP A 24 -0.443 14.312 10.453 1.00 1.41 H new ATOM 0 HE3 TRP A 24 -2.026 19.287 11.748 1.00 14.44 H new ATOM 0 HZ2 TRP A 24 -3.232 14.655 10.349 1.00 13.31 H new ATOM 0 HZ3 TRP A 24 -4.377 18.642 11.394 1.00 61.15 H new ATOM 0 HH2 TRP A 24 -4.970 16.354 10.707 1.00 33.23 H new ATOM 378 N SER A 25 -0.246 17.177 14.489 1.00 32.42 N ATOM 379 CA SER A 25 -0.308 16.003 15.352 1.00 61.31 C ATOM 380 C SER A 25 -1.265 14.960 14.782 1.00 1.43 C ATOM 381 O SER A 25 -2.438 15.243 14.544 1.00 0.20 O ATOM 382 CB SER A 25 -0.752 16.402 16.760 1.00 74.14 C ATOM 383 OG SER A 25 -0.809 15.274 17.616 1.00 11.02 O ATOM 0 H SER A 25 -1.156 17.547 14.215 1.00 32.42 H new ATOM 0 HA SER A 25 0.690 15.567 15.403 1.00 61.31 H new ATOM 0 HB2 SER A 25 -0.059 17.138 17.168 1.00 74.14 H new ATOM 0 HB3 SER A 25 -1.732 16.878 16.715 1.00 74.14 H new ATOM 0 HG SER A 25 -1.094 15.556 18.510 1.00 11.02 H new ATOM 389 N GLU A 26 -0.752 13.752 14.565 1.00 53.04 N ATOM 390 CA GLU A 26 -1.561 12.667 14.022 1.00 60.10 C ATOM 391 C GLU A 26 -0.777 11.358 14.011 1.00 74.23 C ATOM 392 O GLU A 26 -1.259 10.328 14.481 1.00 22.33 O ATOM 393 CB GLU A 26 -2.025 13.007 12.604 1.00 62.15 C ATOM 394 CG GLU A 26 -3.147 12.115 12.101 1.00 12.22 C ATOM 395 CD GLU A 26 -3.217 12.063 10.587 1.00 34.13 C ATOM 396 OE1 GLU A 26 -2.151 11.938 9.948 1.00 61.43 O ATOM 397 OE2 GLU A 26 -4.337 12.149 10.041 1.00 23.12 O1- ATOM 0 H GLU A 26 0.218 13.501 14.757 1.00 53.04 H new ATOM 0 HA GLU A 26 -2.434 12.543 14.663 1.00 60.10 H new ATOM 0 HB2 GLU A 26 -2.358 14.045 12.579 1.00 62.15 H new ATOM 0 HB3 GLU A 26 -1.177 12.928 11.924 1.00 62.15 H new ATOM 0 HG2 GLU A 26 -3.006 11.106 12.489 1.00 12.22 H new ATOM 0 HG3 GLU A 26 -4.097 12.477 12.493 1.00 12.22 H new ATOM 404 N GLY A 27 0.437 11.406 13.470 1.00 15.14 N ATOM 405 CA GLY A 27 1.269 10.218 13.407 1.00 4.13 C ATOM 406 C GLY A 27 1.365 9.652 12.004 1.00 73.25 C ATOM 407 O GLY A 27 1.401 8.436 11.819 1.00 40.05 O ATOM 0 H GLY A 27 0.859 12.246 13.074 1.00 15.14 H new ATOM 0 HA2 GLY A 27 2.269 10.459 13.768 1.00 4.13 H new ATOM 0 HA3 GLY A 27 0.864 9.458 14.075 1.00 4.13 H new ATOM 411 N GLY A 28 1.406 10.536 11.012 1.00 1.41 N ATOM 412 CA GLY A 28 1.497 10.098 9.631 1.00 61.23 C ATOM 413 C GLY A 28 2.930 10.005 9.145 1.00 31.04 C ATOM 414 O GLY A 28 3.855 10.444 9.829 1.00 11.20 O ATOM 0 H GLY A 28 1.378 11.548 11.140 1.00 1.41 H new ATOM 0 HA2 GLY A 28 1.018 9.124 9.530 1.00 61.23 H new ATOM 0 HA3 GLY A 28 0.946 10.792 8.996 1.00 61.23 H new ATOM 418 N LYS A 29 3.115 9.430 7.962 1.00 2.02 N ATOM 419 CA LYS A 29 4.446 9.279 7.384 1.00 70.24 C ATOM 420 C LYS A 29 4.809 10.491 6.532 1.00 44.33 C ATOM 421 O LYS A 29 5.883 11.071 6.688 1.00 44.34 O ATOM 422 CB LYS A 29 4.515 8.007 6.537 1.00 33.13 C ATOM 423 CG LYS A 29 4.229 6.737 7.321 1.00 54.20 C ATOM 424 CD LYS A 29 3.184 5.878 6.630 1.00 2.42 C ATOM 425 CE LYS A 29 3.007 4.541 7.333 1.00 32.15 C ATOM 426 NZ LYS A 29 2.192 3.593 6.525 1.00 31.05 N1+ ATOM 0 H LYS A 29 2.360 9.061 7.384 1.00 2.02 H new ATOM 0 HA LYS A 29 5.164 9.203 8.201 1.00 70.24 H new ATOM 0 HB2 LYS A 29 3.800 8.087 5.718 1.00 33.13 H new ATOM 0 HB3 LYS A 29 5.506 7.932 6.089 1.00 33.13 H new ATOM 0 HG2 LYS A 29 5.150 6.166 7.439 1.00 54.20 H new ATOM 0 HG3 LYS A 29 3.884 6.996 8.322 1.00 54.20 H new ATOM 0 HD2 LYS A 29 2.232 6.408 6.609 1.00 2.42 H new ATOM 0 HD3 LYS A 29 3.478 5.709 5.594 1.00 2.42 H new ATOM 0 HE2 LYS A 29 3.985 4.102 7.530 1.00 32.15 H new ATOM 0 HE3 LYS A 29 2.528 4.699 8.299 1.00 32.15 H new ATOM 0 HZ1 LYS A 29 2.095 2.694 7.039 1.00 31.05 H new ATOM 0 HZ2 LYS A 29 1.250 4.000 6.358 1.00 31.05 H new ATOM 0 HZ3 LYS A 29 2.662 3.422 5.613 1.00 31.05 H new ATOM 440 N GLU A 30 3.907 10.867 5.631 1.00 70.41 N ATOM 441 CA GLU A 30 4.134 12.010 4.755 1.00 31.12 C ATOM 442 C GLU A 30 3.084 13.093 4.990 1.00 62.13 C ATOM 443 O GLU A 30 1.893 12.877 4.768 1.00 50.04 O ATOM 444 CB GLU A 30 4.110 11.571 3.289 1.00 52.54 C ATOM 445 CG GLU A 30 5.001 10.375 2.998 1.00 64.11 C ATOM 446 CD GLU A 30 4.785 9.812 1.607 1.00 64.32 C ATOM 447 OE1 GLU A 30 4.828 10.597 0.636 1.00 41.54 O ATOM 448 OE2 GLU A 30 4.572 8.588 1.488 1.00 24.13 O1- ATOM 0 H GLU A 30 3.013 10.397 5.489 1.00 70.41 H new ATOM 0 HA GLU A 30 5.116 12.423 4.987 1.00 31.12 H new ATOM 0 HB2 GLU A 30 3.085 11.327 3.008 1.00 52.54 H new ATOM 0 HB3 GLU A 30 4.422 12.407 2.663 1.00 52.54 H new ATOM 0 HG2 GLU A 30 6.045 10.669 3.109 1.00 64.11 H new ATOM 0 HG3 GLU A 30 4.809 9.596 3.735 1.00 64.11 H new ATOM 455 N VAL A 31 3.536 14.259 5.441 1.00 74.14 N ATOM 456 CA VAL A 31 2.637 15.376 5.706 1.00 50.44 C ATOM 457 C VAL A 31 3.068 16.622 4.940 1.00 42.45 C ATOM 458 O VAL A 31 4.260 16.898 4.802 1.00 5.15 O ATOM 459 CB VAL A 31 2.581 15.706 7.210 1.00 42.23 C ATOM 460 CG1 VAL A 31 1.609 16.847 7.470 1.00 75.11 C ATOM 461 CG2 VAL A 31 2.194 14.472 8.011 1.00 3.42 C ATOM 0 H VAL A 31 4.519 14.455 5.630 1.00 74.14 H new ATOM 0 HA VAL A 31 1.646 15.071 5.371 1.00 50.44 H new ATOM 0 HB VAL A 31 3.572 16.024 7.532 1.00 42.23 H new ATOM 0 HG11 VAL A 31 1.582 17.066 8.537 1.00 75.11 H new ATOM 0 HG12 VAL A 31 1.934 17.733 6.925 1.00 75.11 H new ATOM 0 HG13 VAL A 31 0.613 16.560 7.134 1.00 75.11 H new ATOM 0 HG21 VAL A 31 2.159 14.723 9.071 1.00 3.42 H new ATOM 0 HG22 VAL A 31 1.214 14.122 7.688 1.00 3.42 H new ATOM 0 HG23 VAL A 31 2.932 13.686 7.848 1.00 3.42 H new ATOM 471 N PHE A 32 2.090 17.371 4.442 1.00 3.30 N ATOM 472 CA PHE A 32 2.367 18.588 3.689 1.00 33.30 C ATOM 473 C PHE A 32 1.420 19.711 4.101 1.00 0.43 C ATOM 474 O PHE A 32 0.489 19.498 4.878 1.00 64.31 O ATOM 475 CB PHE A 32 2.239 18.324 2.187 1.00 54.22 C ATOM 476 CG PHE A 32 2.966 17.091 1.731 1.00 44.23 C ATOM 477 CD1 PHE A 32 2.340 15.855 1.748 1.00 61.04 C ATOM 478 CD2 PHE A 32 4.276 17.168 1.286 1.00 31.12 C ATOM 479 CE1 PHE A 32 3.006 14.719 1.329 1.00 62.11 C ATOM 480 CE2 PHE A 32 4.947 16.036 0.865 1.00 15.41 C ATOM 481 CZ PHE A 32 4.312 14.809 0.888 1.00 40.11 C ATOM 0 H PHE A 32 1.098 17.156 4.546 1.00 3.30 H new ATOM 0 HA PHE A 32 3.388 18.898 3.911 1.00 33.30 H new ATOM 0 HB2 PHE A 32 1.184 18.229 1.932 1.00 54.22 H new ATOM 0 HB3 PHE A 32 2.623 19.185 1.641 1.00 54.22 H new ATOM 0 HD1 PHE A 32 1.319 15.779 2.093 1.00 61.04 H new ATOM 0 HD2 PHE A 32 4.778 18.124 1.268 1.00 31.12 H new ATOM 0 HE1 PHE A 32 2.506 13.762 1.346 1.00 62.11 H new ATOM 0 HE2 PHE A 32 5.967 16.110 0.518 1.00 15.41 H new ATOM 0 HZ PHE A 32 4.836 13.922 0.562 1.00 40.11 H new ATOM 491 N ILE A 33 1.667 20.907 3.577 1.00 13.34 N ATOM 492 CA ILE A 33 0.836 22.064 3.891 1.00 72.44 C ATOM 493 C ILE A 33 0.662 22.962 2.671 1.00 11.41 C ATOM 494 O ILE A 33 1.606 23.189 1.914 1.00 13.30 O ATOM 495 CB ILE A 33 1.436 22.892 5.042 1.00 15.35 C ATOM 496 CG1 ILE A 33 0.525 24.075 5.377 1.00 53.51 C ATOM 497 CG2 ILE A 33 2.830 23.377 4.676 1.00 11.24 C ATOM 498 CD1 ILE A 33 0.881 24.763 6.676 1.00 0.14 C ATOM 0 H ILE A 33 2.435 21.100 2.934 1.00 13.34 H new ATOM 0 HA ILE A 33 -0.137 21.680 4.199 1.00 72.44 H new ATOM 0 HB ILE A 33 1.514 22.257 5.924 1.00 15.35 H new ATOM 0 HG12 ILE A 33 0.573 24.801 4.566 1.00 53.51 H new ATOM 0 HG13 ILE A 33 -0.506 23.725 5.431 1.00 53.51 H new ATOM 0 HG21 ILE A 33 3.240 23.961 5.500 1.00 11.24 H new ATOM 0 HG22 ILE A 33 3.474 22.519 4.483 1.00 11.24 H new ATOM 0 HG23 ILE A 33 2.776 23.999 3.783 1.00 11.24 H new ATOM 0 HD11 ILE A 33 0.194 25.591 6.849 1.00 0.14 H new ATOM 0 HD12 ILE A 33 0.805 24.051 7.498 1.00 0.14 H new ATOM 0 HD13 ILE A 33 1.901 25.143 6.619 1.00 0.14 H new ATOM 510 N SER A 34 -0.551 23.472 2.487 1.00 74.21 N ATOM 511 CA SER A 34 -0.850 24.345 1.358 1.00 21.11 C ATOM 512 C SER A 34 -1.952 25.339 1.715 1.00 75.54 C ATOM 513 O SER A 34 -2.932 24.986 2.369 1.00 75.43 O ATOM 514 CB SER A 34 -1.271 23.516 0.142 1.00 25.35 C ATOM 515 OG SER A 34 -0.418 22.398 -0.031 1.00 52.43 O ATOM 0 H SER A 34 -1.343 23.296 3.105 1.00 74.21 H new ATOM 0 HA SER A 34 0.054 24.903 1.114 1.00 21.11 H new ATOM 0 HB2 SER A 34 -2.299 23.177 0.267 1.00 25.35 H new ATOM 0 HB3 SER A 34 -1.247 24.138 -0.753 1.00 25.35 H new ATOM 0 HG SER A 34 -0.708 21.883 -0.813 1.00 52.43 H new ATOM 521 N GLY A 35 -1.781 26.584 1.281 1.00 54.31 N ATOM 522 CA GLY A 35 -2.767 27.610 1.565 1.00 42.32 C ATOM 523 C GLY A 35 -2.672 28.785 0.611 1.00 45.21 C ATOM 524 O GLY A 35 -1.980 28.714 -0.404 1.00 21.03 O ATOM 0 H GLY A 35 -0.978 26.900 0.738 1.00 54.31 H new ATOM 0 HA2 GLY A 35 -3.765 27.177 1.505 1.00 42.32 H new ATOM 0 HA3 GLY A 35 -2.634 27.964 2.587 1.00 42.32 H new ATOM 528 N SER A 36 -3.371 29.867 0.938 1.00 75.24 N ATOM 529 CA SER A 36 -3.366 31.061 0.100 1.00 34.33 C ATOM 530 C SER A 36 -1.987 31.712 0.089 1.00 71.13 C ATOM 531 O SER A 36 -1.696 32.564 -0.751 1.00 4.31 O ATOM 532 CB SER A 36 -4.411 32.062 0.596 1.00 65.34 C ATOM 533 OG SER A 36 -4.144 32.459 1.930 1.00 13.12 O ATOM 0 H SER A 36 -3.947 29.942 1.776 1.00 75.24 H new ATOM 0 HA SER A 36 -3.615 30.761 -0.918 1.00 34.33 H new ATOM 0 HB2 SER A 36 -4.417 32.938 -0.053 1.00 65.34 H new ATOM 0 HB3 SER A 36 -5.404 31.615 0.538 1.00 65.34 H new ATOM 0 HG SER A 36 -4.825 33.100 2.223 1.00 13.12 H new ATOM 539 N PHE A 37 -1.140 31.305 1.028 1.00 23.10 N ATOM 540 CA PHE A 37 0.210 31.848 1.129 1.00 11.12 C ATOM 541 C PHE A 37 1.086 31.343 -0.013 1.00 50.51 C ATOM 542 O PHE A 37 2.108 31.946 -0.339 1.00 73.12 O ATOM 543 CB PHE A 37 0.836 31.470 2.473 1.00 22.03 C ATOM 544 CG PHE A 37 0.933 29.987 2.693 1.00 62.52 C ATOM 545 CD1 PHE A 37 2.011 29.270 2.200 1.00 4.33 C ATOM 546 CD2 PHE A 37 -0.053 29.311 3.393 1.00 1.14 C ATOM 547 CE1 PHE A 37 2.103 27.905 2.400 1.00 63.12 C ATOM 548 CE2 PHE A 37 0.033 27.947 3.597 1.00 24.12 C ATOM 549 CZ PHE A 37 1.113 27.243 3.101 1.00 45.15 C ATOM 0 H PHE A 37 -1.364 30.600 1.731 1.00 23.10 H new ATOM 0 HA PHE A 37 0.144 32.934 1.060 1.00 11.12 H new ATOM 0 HB2 PHE A 37 1.834 31.905 2.535 1.00 22.03 H new ATOM 0 HB3 PHE A 37 0.246 31.911 3.276 1.00 22.03 H new ATOM 0 HD1 PHE A 37 2.788 29.783 1.653 1.00 4.33 H new ATOM 0 HD2 PHE A 37 -0.899 29.857 3.784 1.00 1.14 H new ATOM 0 HE1 PHE A 37 2.947 27.357 2.009 1.00 63.12 H new ATOM 0 HE2 PHE A 37 -0.743 27.432 4.144 1.00 24.12 H new ATOM 0 HZ PHE A 37 1.184 26.177 3.261 1.00 45.15 H new ATOM 559 N ASN A 38 0.678 30.231 -0.617 1.00 22.03 N ATOM 560 CA ASN A 38 1.426 29.643 -1.722 1.00 73.21 C ATOM 561 C ASN A 38 0.543 29.491 -2.957 1.00 65.12 C ATOM 562 O ASN A 38 0.879 28.758 -3.886 1.00 33.34 O ATOM 563 CB ASN A 38 1.992 28.281 -1.315 1.00 74.54 C ATOM 564 CG ASN A 38 0.985 27.161 -1.489 1.00 31.23 C ATOM 565 OD1 ASN A 38 0.010 27.067 -0.743 1.00 32.13 O ATOM 566 ND2 ASN A 38 1.217 26.305 -2.477 1.00 70.32 N ATOM 0 H ASN A 38 -0.166 29.720 -0.360 1.00 22.03 H new ATOM 0 HA ASN A 38 2.250 30.313 -1.967 1.00 73.21 H new ATOM 0 HB2 ASN A 38 2.878 28.066 -1.913 1.00 74.54 H new ATOM 0 HB3 ASN A 38 2.312 28.320 -0.274 1.00 74.54 H new ATOM 0 HD21 ASN A 38 0.574 25.531 -2.642 1.00 70.32 H new ATOM 0 HD22 ASN A 38 2.038 26.422 -3.071 1.00 70.32 H new ATOM 573 N ASN A 39 -0.588 30.189 -2.958 1.00 74.22 N ATOM 574 CA ASN A 39 -1.520 30.131 -4.078 1.00 43.44 C ATOM 575 C ASN A 39 -2.036 28.710 -4.285 1.00 54.22 C ATOM 576 O ASN A 39 -2.534 28.370 -5.358 1.00 61.41 O ATOM 577 CB ASN A 39 -0.845 30.632 -5.357 1.00 4.25 C ATOM 578 CG ASN A 39 -1.828 31.276 -6.315 1.00 33.23 C ATOM 579 OD1 ASN A 39 -2.635 32.119 -5.921 1.00 13.05 O ATOM 580 ND2 ASN A 39 -1.764 30.882 -7.582 1.00 32.44 N ATOM 0 H ASN A 39 -0.881 30.801 -2.196 1.00 74.22 H new ATOM 0 HA ASN A 39 -2.368 30.776 -3.846 1.00 43.44 H new ATOM 0 HB2 ASN A 39 -0.070 31.353 -5.097 1.00 4.25 H new ATOM 0 HB3 ASN A 39 -0.351 29.798 -5.854 1.00 4.25 H new ATOM 0 HD21 ASN A 39 -2.400 31.281 -8.273 1.00 32.44 H new ATOM 0 HD22 ASN A 39 -1.079 30.181 -7.864 1.00 32.44 H new ATOM 587 N TRP A 40 -1.913 27.886 -3.250 1.00 11.01 N ATOM 588 CA TRP A 40 -2.367 26.502 -3.318 1.00 32.51 C ATOM 589 C TRP A 40 -1.800 25.803 -4.548 1.00 23.40 C ATOM 590 O TRP A 40 -2.425 24.899 -5.103 1.00 14.41 O ATOM 591 CB TRP A 40 -3.895 26.446 -3.343 1.00 1.54 C ATOM 592 CG TRP A 40 -4.538 27.282 -2.278 1.00 50.23 C ATOM 593 CD1 TRP A 40 -4.718 28.635 -2.297 1.00 31.41 C ATOM 594 CD2 TRP A 40 -5.084 26.819 -1.038 1.00 14.41 C ATOM 595 NE1 TRP A 40 -5.343 29.042 -1.143 1.00 60.15 N ATOM 596 CE2 TRP A 40 -5.579 27.947 -0.354 1.00 20.21 C ATOM 597 CE3 TRP A 40 -5.204 25.562 -0.440 1.00 13.14 C ATOM 598 CZ2 TRP A 40 -6.183 27.853 0.897 1.00 10.52 C ATOM 599 CZ3 TRP A 40 -5.804 25.471 0.802 1.00 75.02 C ATOM 600 CH2 TRP A 40 -6.287 26.610 1.459 1.00 71.30 C ATOM 0 H TRP A 40 -1.503 28.152 -2.355 1.00 11.01 H new ATOM 0 HA TRP A 40 -2.006 25.983 -2.430 1.00 32.51 H new ATOM 0 HB2 TRP A 40 -4.248 26.780 -4.319 1.00 1.54 H new ATOM 0 HB3 TRP A 40 -4.215 25.411 -3.225 1.00 1.54 H new ATOM 0 HD1 TRP A 40 -4.414 29.289 -3.101 1.00 31.41 H new ATOM 0 HE1 TRP A 40 -5.591 30.004 -0.911 1.00 60.15 H new ATOM 0 HE3 TRP A 40 -4.835 24.678 -0.939 1.00 13.14 H new ATOM 0 HZ2 TRP A 40 -6.556 28.730 1.405 1.00 10.52 H new ATOM 0 HZ3 TRP A 40 -5.902 24.505 1.274 1.00 75.02 H new ATOM 0 HH2 TRP A 40 -6.751 26.505 2.429 1.00 71.30 H new ATOM 611 N SER A 41 -0.613 26.226 -4.970 1.00 74.51 N ATOM 612 CA SER A 41 0.037 25.642 -6.138 1.00 24.05 C ATOM 613 C SER A 41 0.531 24.231 -5.835 1.00 42.45 C ATOM 614 O SER A 41 -0.003 23.249 -6.352 1.00 72.12 O ATOM 615 CB SER A 41 1.207 26.519 -6.588 1.00 64.43 C ATOM 616 OG SER A 41 1.695 26.107 -7.853 1.00 75.12 O ATOM 0 H SER A 41 -0.081 26.971 -4.520 1.00 74.51 H new ATOM 0 HA SER A 41 -0.696 25.587 -6.942 1.00 24.05 H new ATOM 0 HB2 SER A 41 0.887 27.560 -6.639 1.00 64.43 H new ATOM 0 HB3 SER A 41 2.009 26.468 -5.851 1.00 64.43 H new ATOM 0 HG SER A 41 2.441 26.684 -8.120 1.00 75.12 H new ATOM 622 N THR A 42 1.556 24.137 -4.993 1.00 73.54 N ATOM 623 CA THR A 42 2.124 22.847 -4.622 1.00 45.04 C ATOM 624 C THR A 42 1.930 22.568 -3.136 1.00 34.20 C ATOM 625 O THR A 42 1.385 23.395 -2.404 1.00 34.44 O ATOM 626 CB THR A 42 3.626 22.778 -4.954 1.00 1.10 C ATOM 627 OG1 THR A 42 4.323 23.841 -4.294 1.00 15.30 O ATOM 628 CG2 THR A 42 3.854 22.872 -6.455 1.00 52.41 C ATOM 0 H THR A 42 2.009 24.939 -4.555 1.00 73.54 H new ATOM 0 HA THR A 42 1.596 22.091 -5.203 1.00 45.04 H new ATOM 0 HB THR A 42 4.009 21.819 -4.604 1.00 1.10 H new ATOM 0 HG1 THR A 42 5.278 23.789 -4.509 1.00 15.30 H new ATOM 0 HG21 THR A 42 4.922 22.821 -6.665 1.00 52.41 H new ATOM 0 HG22 THR A 42 3.347 22.045 -6.953 1.00 52.41 H new ATOM 0 HG23 THR A 42 3.456 23.817 -6.825 1.00 52.41 H new ATOM 636 N LYS A 43 2.380 21.399 -2.695 1.00 53.21 N ATOM 637 CA LYS A 43 2.258 21.011 -1.294 1.00 62.12 C ATOM 638 C LYS A 43 3.626 20.968 -0.621 1.00 0.51 C ATOM 639 O LYS A 43 4.412 20.047 -0.847 1.00 42.43 O ATOM 640 CB LYS A 43 1.579 19.644 -1.180 1.00 42.01 C ATOM 641 CG LYS A 43 2.122 18.611 -2.152 1.00 13.53 C ATOM 642 CD LYS A 43 1.989 17.202 -1.601 1.00 24.00 C ATOM 643 CE LYS A 43 2.028 16.163 -2.711 1.00 21.13 C ATOM 644 NZ LYS A 43 3.424 15.814 -3.095 1.00 63.23 N1+ ATOM 0 H LYS A 43 2.833 20.703 -3.287 1.00 53.21 H new ATOM 0 HA LYS A 43 1.646 21.758 -0.787 1.00 62.12 H new ATOM 0 HB2 LYS A 43 1.700 19.272 -0.163 1.00 42.01 H new ATOM 0 HB3 LYS A 43 0.509 19.764 -1.351 1.00 42.01 H new ATOM 0 HG2 LYS A 43 1.587 18.684 -3.099 1.00 13.53 H new ATOM 0 HG3 LYS A 43 3.170 18.823 -2.361 1.00 13.53 H new ATOM 0 HD2 LYS A 43 2.795 17.010 -0.893 1.00 24.00 H new ATOM 0 HD3 LYS A 43 1.053 17.113 -1.050 1.00 24.00 H new ATOM 0 HE2 LYS A 43 1.505 15.264 -2.385 1.00 21.13 H new ATOM 0 HE3 LYS A 43 1.496 16.543 -3.583 1.00 21.13 H new ATOM 0 HZ1 LYS A 43 3.408 15.103 -3.854 1.00 63.23 H new ATOM 0 HZ2 LYS A 43 3.916 16.667 -3.430 1.00 63.23 H new ATOM 0 HZ3 LYS A 43 3.925 15.428 -2.269 1.00 63.23 H new ATOM 658 N ILE A 44 3.904 21.969 0.208 1.00 50.11 N ATOM 659 CA ILE A 44 5.176 22.043 0.916 1.00 75.21 C ATOM 660 C ILE A 44 5.285 20.944 1.967 1.00 20.24 C ATOM 661 O ILE A 44 4.373 20.718 2.763 1.00 14.21 O ATOM 662 CB ILE A 44 5.360 23.411 1.600 1.00 5.22 C ATOM 663 CG1 ILE A 44 5.787 24.464 0.575 1.00 22.10 C ATOM 664 CG2 ILE A 44 6.384 23.309 2.720 1.00 1.53 C ATOM 665 CD1 ILE A 44 5.432 25.878 0.978 1.00 74.32 C ATOM 0 H ILE A 44 3.266 22.740 0.406 1.00 50.11 H new ATOM 0 HA ILE A 44 5.960 21.909 0.171 1.00 75.21 H new ATOM 0 HB ILE A 44 4.407 23.716 2.032 1.00 5.22 H new ATOM 0 HG12 ILE A 44 6.865 24.397 0.425 1.00 22.10 H new ATOM 0 HG13 ILE A 44 5.317 24.239 -0.382 1.00 22.10 H new ATOM 0 HG21 ILE A 44 6.503 24.283 3.194 1.00 1.53 H new ATOM 0 HG22 ILE A 44 6.043 22.585 3.460 1.00 1.53 H new ATOM 0 HG23 ILE A 44 7.341 22.985 2.310 1.00 1.53 H new ATOM 0 HD11 ILE A 44 5.764 26.571 0.205 1.00 74.32 H new ATOM 0 HD12 ILE A 44 4.352 25.961 1.100 1.00 74.32 H new ATOM 0 HD13 ILE A 44 5.923 26.122 1.920 1.00 74.32 H new ATOM 677 N PRO A 45 6.428 20.242 1.972 1.00 42.30 N ATOM 678 CA PRO A 45 6.686 19.155 2.922 1.00 74.53 C ATOM 679 C PRO A 45 6.877 19.664 4.347 1.00 40.33 C ATOM 680 O PRO A 45 7.629 20.610 4.584 1.00 40.12 O ATOM 681 CB PRO A 45 7.981 18.528 2.400 1.00 11.42 C ATOM 682 CG PRO A 45 8.657 19.623 1.651 1.00 55.22 C ATOM 683 CD PRO A 45 7.558 20.456 1.052 1.00 3.34 C ATOM 0 HA PRO A 45 5.851 18.457 2.979 1.00 74.53 H new ATOM 0 HB2 PRO A 45 8.603 18.165 3.218 1.00 11.42 H new ATOM 0 HB3 PRO A 45 7.775 17.675 1.754 1.00 11.42 H new ATOM 0 HG2 PRO A 45 9.282 20.221 2.314 1.00 55.22 H new ATOM 0 HG3 PRO A 45 9.308 19.221 0.875 1.00 55.22 H new ATOM 0 HD2 PRO A 45 7.837 21.508 0.996 1.00 3.34 H new ATOM 0 HD3 PRO A 45 7.317 20.135 0.038 1.00 3.34 H new ATOM 691 N LEU A 46 6.191 19.031 5.293 1.00 54.51 N ATOM 692 CA LEU A 46 6.286 19.419 6.696 1.00 11.22 C ATOM 693 C LEU A 46 7.495 18.768 7.360 1.00 63.13 C ATOM 694 O LEU A 46 7.558 17.546 7.495 1.00 34.03 O ATOM 695 CB LEU A 46 5.008 19.028 7.440 1.00 1.32 C ATOM 696 CG LEU A 46 4.231 20.175 8.087 1.00 64.55 C ATOM 697 CD1 LEU A 46 3.525 21.006 7.027 1.00 13.04 C ATOM 698 CD2 LEU A 46 3.230 19.637 9.099 1.00 1.43 C ATOM 0 H LEU A 46 5.563 18.247 5.114 1.00 54.51 H new ATOM 0 HA LEU A 46 6.409 20.501 6.742 1.00 11.22 H new ATOM 0 HB2 LEU A 46 4.346 18.516 6.741 1.00 1.32 H new ATOM 0 HB3 LEU A 46 5.269 18.309 8.216 1.00 1.32 H new ATOM 0 HG LEU A 46 4.938 20.817 8.612 1.00 64.55 H new ATOM 0 HD11 LEU A 46 2.977 21.818 7.506 1.00 13.04 H new ATOM 0 HD12 LEU A 46 4.262 21.422 6.340 1.00 13.04 H new ATOM 0 HD13 LEU A 46 2.829 20.375 6.474 1.00 13.04 H new ATOM 0 HD21 LEU A 46 2.686 20.467 9.550 1.00 1.43 H new ATOM 0 HD22 LEU A 46 2.527 18.972 8.597 1.00 1.43 H new ATOM 0 HD23 LEU A 46 3.759 19.086 9.876 1.00 1.43 H new ATOM 710 N ILE A 47 8.450 19.593 7.775 1.00 41.44 N ATOM 711 CA ILE A 47 9.655 19.098 8.429 1.00 1.41 C ATOM 712 C ILE A 47 9.310 18.208 9.618 1.00 65.02 C ATOM 713 O ILE A 47 8.755 18.672 10.614 1.00 61.11 O ATOM 714 CB ILE A 47 10.551 20.255 8.910 1.00 11.35 C ATOM 715 CG1 ILE A 47 10.861 21.205 7.752 1.00 2.10 C ATOM 716 CG2 ILE A 47 11.836 19.712 9.517 1.00 15.21 C ATOM 717 CD1 ILE A 47 11.533 20.527 6.578 1.00 52.21 C ATOM 0 H ILE A 47 8.413 20.607 7.670 1.00 41.44 H new ATOM 0 HA ILE A 47 10.199 18.513 7.687 1.00 1.41 H new ATOM 0 HB ILE A 47 10.017 20.813 9.679 1.00 11.35 H new ATOM 0 HG12 ILE A 47 9.934 21.666 7.413 1.00 2.10 H new ATOM 0 HG13 ILE A 47 11.503 22.008 8.113 1.00 2.10 H new ATOM 0 HG21 ILE A 47 12.459 20.541 9.852 1.00 15.21 H new ATOM 0 HG22 ILE A 47 11.595 19.072 10.366 1.00 15.21 H new ATOM 0 HG23 ILE A 47 12.376 19.133 8.768 1.00 15.21 H new ATOM 0 HD11 ILE A 47 11.723 21.260 5.794 1.00 52.21 H new ATOM 0 HD12 ILE A 47 12.477 20.089 6.902 1.00 52.21 H new ATOM 0 HD13 ILE A 47 10.883 19.742 6.191 1.00 52.21 H new ATOM 729 N LYS A 48 9.643 16.927 9.508 1.00 55.44 N ATOM 730 CA LYS A 48 9.371 15.971 10.575 1.00 2.01 C ATOM 731 C LYS A 48 10.352 16.150 11.729 1.00 4.04 C ATOM 732 O LYS A 48 11.566 16.054 11.546 1.00 74.51 O ATOM 733 CB LYS A 48 9.455 14.540 10.039 1.00 32.12 C ATOM 734 CG LYS A 48 8.872 13.502 10.983 1.00 21.33 C ATOM 735 CD LYS A 48 8.792 12.134 10.326 1.00 65.24 C ATOM 736 CE LYS A 48 10.170 11.625 9.929 1.00 55.25 C ATOM 737 NZ LYS A 48 10.472 10.305 10.548 1.00 34.55 N1+ ATOM 0 H LYS A 48 10.102 16.526 8.690 1.00 55.44 H new ATOM 0 HA LYS A 48 8.363 16.156 10.946 1.00 2.01 H new ATOM 0 HB2 LYS A 48 8.930 14.487 9.085 1.00 32.12 H new ATOM 0 HB3 LYS A 48 10.499 14.295 9.843 1.00 32.12 H new ATOM 0 HG2 LYS A 48 9.486 13.440 11.881 1.00 21.33 H new ATOM 0 HG3 LYS A 48 7.876 13.814 11.298 1.00 21.33 H new ATOM 0 HD2 LYS A 48 8.325 11.427 11.011 1.00 65.24 H new ATOM 0 HD3 LYS A 48 8.155 12.190 9.443 1.00 65.24 H new ATOM 0 HE2 LYS A 48 10.227 11.539 8.844 1.00 55.25 H new ATOM 0 HE3 LYS A 48 10.926 12.350 10.231 1.00 55.25 H new ATOM 0 HZ1 LYS A 48 11.419 9.992 10.254 1.00 34.55 H new ATOM 0 HZ2 LYS A 48 10.443 10.393 11.584 1.00 34.55 H new ATOM 0 HZ3 LYS A 48 9.765 9.607 10.239 1.00 34.55 H new ATOM 751 N SER A 49 9.818 16.411 12.918 1.00 14.13 N ATOM 752 CA SER A 49 10.647 16.606 14.102 1.00 33.35 C ATOM 753 C SER A 49 10.721 15.327 14.931 1.00 3.20 C ATOM 754 O SER A 49 10.181 14.291 14.543 1.00 64.42 O ATOM 755 CB SER A 49 10.094 17.749 14.955 1.00 31.23 C ATOM 756 OG SER A 49 11.129 18.394 15.677 1.00 51.25 O ATOM 0 H SER A 49 8.815 16.492 13.087 1.00 14.13 H new ATOM 0 HA SER A 49 11.654 16.863 13.772 1.00 33.35 H new ATOM 0 HB2 SER A 49 9.587 18.472 14.316 1.00 31.23 H new ATOM 0 HB3 SER A 49 9.349 17.361 15.650 1.00 31.23 H new ATOM 0 HG SER A 49 10.750 19.122 16.213 1.00 51.25 H new ATOM 762 N HIS A 50 11.392 15.409 16.075 1.00 0.54 N ATOM 763 CA HIS A 50 11.536 14.259 16.961 1.00 22.21 C ATOM 764 C HIS A 50 10.232 13.974 17.699 1.00 65.22 C ATOM 765 O HIS A 50 9.978 12.846 18.118 1.00 14.41 O ATOM 766 CB HIS A 50 12.662 14.501 17.967 1.00 63.12 C ATOM 767 CG HIS A 50 14.032 14.332 17.385 1.00 21.12 C ATOM 768 ND1 HIS A 50 14.278 13.605 16.239 1.00 33.13 N ATOM 769 CD2 HIS A 50 15.233 14.802 17.796 1.00 30.03 C ATOM 770 CE1 HIS A 50 15.572 13.634 15.972 1.00 63.42 C ATOM 771 NE2 HIS A 50 16.173 14.354 16.901 1.00 44.14 N ATOM 0 H HIS A 50 11.845 16.259 16.411 1.00 0.54 H new ATOM 0 HA HIS A 50 11.784 13.391 16.350 1.00 22.21 H new ATOM 0 HB2 HIS A 50 12.569 15.510 18.368 1.00 63.12 H new ATOM 0 HB3 HIS A 50 12.544 13.813 18.804 1.00 63.12 H new ATOM 0 HD2 HIS A 50 15.417 15.415 18.666 1.00 30.03 H new ATOM 0 HE1 HIS A 50 16.056 13.151 15.136 1.00 63.42 H new ATOM 0 HE2 HIS A 50 17.174 14.546 16.947 1.00 44.14 H new ATOM 779 N ASN A 51 9.408 15.006 17.854 1.00 43.20 N ATOM 780 CA ASN A 51 8.130 14.867 18.543 1.00 41.32 C ATOM 781 C ASN A 51 6.986 14.730 17.543 1.00 42.34 C ATOM 782 O ASN A 51 6.208 13.777 17.601 1.00 61.52 O ATOM 783 CB ASN A 51 7.884 16.071 19.454 1.00 24.42 C ATOM 784 CG ASN A 51 9.142 16.517 20.174 1.00 75.52 C ATOM 785 OD1 ASN A 51 9.479 15.997 21.238 1.00 63.21 O ATOM 786 ND2 ASN A 51 9.843 17.485 19.596 1.00 63.41 N ATOM 0 H ASN A 51 9.603 15.947 17.512 1.00 43.20 H new ATOM 0 HA ASN A 51 8.169 13.963 19.150 1.00 41.32 H new ATOM 0 HB2 ASN A 51 7.495 16.899 18.861 1.00 24.42 H new ATOM 0 HB3 ASN A 51 7.119 15.818 20.188 1.00 24.42 H new ATOM 0 HD21 ASN A 51 10.698 17.827 20.034 1.00 63.41 H new ATOM 0 HD22 ASN A 51 9.526 17.887 18.714 1.00 63.41 H new ATOM 793 N ASP A 52 6.890 15.687 16.627 1.00 25.42 N ATOM 794 CA ASP A 52 5.842 15.673 15.613 1.00 63.14 C ATOM 795 C ASP A 52 6.282 16.433 14.366 1.00 70.31 C ATOM 796 O ASP A 52 7.443 16.825 14.243 1.00 74.35 O ATOM 797 CB ASP A 52 4.555 16.284 16.170 1.00 51.42 C ATOM 798 CG ASP A 52 4.137 15.654 17.484 1.00 61.33 C ATOM 799 OD1 ASP A 52 3.609 14.522 17.459 1.00 34.01 O ATOM 800 OD2 ASP A 52 4.337 16.293 18.538 1.00 71.33 O1- ATOM 0 H ASP A 52 7.525 16.483 16.566 1.00 25.42 H new ATOM 0 HA ASP A 52 5.652 14.636 15.337 1.00 63.14 H new ATOM 0 HB2 ASP A 52 4.697 17.355 16.313 1.00 51.42 H new ATOM 0 HB3 ASP A 52 3.754 16.163 15.441 1.00 51.42 H new ATOM 805 N PHE A 53 5.348 16.636 13.443 1.00 51.12 N ATOM 806 CA PHE A 53 5.640 17.348 12.204 1.00 12.33 C ATOM 807 C PHE A 53 5.491 18.854 12.393 1.00 22.10 C ATOM 808 O PHE A 53 4.612 19.316 13.122 1.00 32.20 O ATOM 809 CB PHE A 53 4.713 16.868 11.085 1.00 64.40 C ATOM 810 CG PHE A 53 4.982 15.457 10.646 1.00 61.34 C ATOM 811 CD1 PHE A 53 5.938 15.189 9.680 1.00 54.43 C ATOM 812 CD2 PHE A 53 4.280 14.399 11.201 1.00 54.52 C ATOM 813 CE1 PHE A 53 6.188 13.891 9.274 1.00 14.33 C ATOM 814 CE2 PHE A 53 4.526 13.100 10.799 1.00 21.11 C ATOM 815 CZ PHE A 53 5.481 12.845 9.835 1.00 53.35 C ATOM 0 H PHE A 53 4.383 16.318 13.529 1.00 51.12 H new ATOM 0 HA PHE A 53 6.673 17.136 11.927 1.00 12.33 H new ATOM 0 HB2 PHE A 53 3.680 16.944 11.423 1.00 64.40 H new ATOM 0 HB3 PHE A 53 4.818 17.533 10.228 1.00 64.40 H new ATOM 0 HD1 PHE A 53 6.494 16.003 9.239 1.00 54.43 H new ATOM 0 HD2 PHE A 53 3.532 14.592 11.956 1.00 54.52 H new ATOM 0 HE1 PHE A 53 6.935 13.695 8.519 1.00 14.33 H new ATOM 0 HE2 PHE A 53 3.971 12.284 11.239 1.00 21.11 H new ATOM 0 HZ PHE A 53 5.675 11.830 9.520 1.00 53.35 H new ATOM 825 N VAL A 54 6.356 19.617 11.732 1.00 33.42 N ATOM 826 CA VAL A 54 6.320 21.071 11.826 1.00 40.41 C ATOM 827 C VAL A 54 6.839 21.718 10.546 1.00 3.45 C ATOM 828 O VAL A 54 7.772 21.216 9.920 1.00 74.24 O ATOM 829 CB VAL A 54 7.154 21.577 13.018 1.00 62.34 C ATOM 830 CG1 VAL A 54 6.571 21.074 14.330 1.00 24.21 C ATOM 831 CG2 VAL A 54 8.607 21.148 12.872 1.00 4.44 C ATOM 0 H VAL A 54 7.090 19.252 11.126 1.00 33.42 H new ATOM 0 HA VAL A 54 5.278 21.353 11.975 1.00 40.41 H new ATOM 0 HB VAL A 54 7.119 22.666 13.027 1.00 62.34 H new ATOM 0 HG11 VAL A 54 7.174 21.442 15.161 1.00 24.21 H new ATOM 0 HG12 VAL A 54 5.548 21.435 14.436 1.00 24.21 H new ATOM 0 HG13 VAL A 54 6.573 19.984 14.335 1.00 24.21 H new ATOM 0 HG21 VAL A 54 9.182 21.514 13.723 1.00 4.44 H new ATOM 0 HG22 VAL A 54 8.663 20.060 12.837 1.00 4.44 H new ATOM 0 HG23 VAL A 54 9.018 21.562 11.951 1.00 4.44 H new ATOM 841 N ALA A 55 6.228 22.834 10.164 1.00 33.42 N ATOM 842 CA ALA A 55 6.630 23.551 8.960 1.00 64.34 C ATOM 843 C ALA A 55 6.732 25.050 9.222 1.00 43.12 C ATOM 844 O ALA A 55 5.821 25.653 9.791 1.00 20.33 O ATOM 845 CB ALA A 55 5.648 23.276 7.830 1.00 75.11 C ATOM 0 H ALA A 55 5.453 23.261 10.671 1.00 33.42 H new ATOM 0 HA ALA A 55 7.616 23.193 8.665 1.00 64.34 H new ATOM 0 HB1 ALA A 55 5.960 23.818 6.937 1.00 75.11 H new ATOM 0 HB2 ALA A 55 5.628 22.207 7.618 1.00 75.11 H new ATOM 0 HB3 ALA A 55 4.652 23.606 8.125 1.00 75.11 H new ATOM 851 N ILE A 56 7.844 25.644 8.805 1.00 4.32 N ATOM 852 CA ILE A 56 8.064 27.073 8.994 1.00 62.15 C ATOM 853 C ILE A 56 7.999 27.820 7.667 1.00 1.24 C ATOM 854 O ILE A 56 8.949 27.799 6.883 1.00 41.11 O ATOM 855 CB ILE A 56 9.425 27.349 9.660 1.00 74.20 C ATOM 856 CG1 ILE A 56 9.499 26.660 11.024 1.00 12.24 C ATOM 857 CG2 ILE A 56 9.649 28.847 9.805 1.00 20.32 C ATOM 858 CD1 ILE A 56 9.970 25.224 10.951 1.00 22.53 C ATOM 0 H ILE A 56 8.607 25.158 8.334 1.00 4.32 H new ATOM 0 HA ILE A 56 7.269 27.431 9.648 1.00 62.15 H new ATOM 0 HB ILE A 56 10.213 26.943 9.025 1.00 74.20 H new ATOM 0 HG12 ILE A 56 10.173 27.223 11.670 1.00 12.24 H new ATOM 0 HG13 ILE A 56 8.514 26.688 11.490 1.00 12.24 H new ATOM 0 HG21 ILE A 56 10.615 29.026 10.277 1.00 20.32 H new ATOM 0 HG22 ILE A 56 9.634 29.314 8.820 1.00 20.32 H new ATOM 0 HG23 ILE A 56 8.859 29.275 10.422 1.00 20.32 H new ATOM 0 HD11 ILE A 56 9.998 24.799 11.954 1.00 22.53 H new ATOM 0 HD12 ILE A 56 9.283 24.647 10.331 1.00 22.53 H new ATOM 0 HD13 ILE A 56 10.968 25.190 10.515 1.00 22.53 H new ATOM 870 N LEU A 57 6.873 28.481 7.421 1.00 53.34 N ATOM 871 CA LEU A 57 6.684 29.237 6.188 1.00 41.32 C ATOM 872 C LEU A 57 7.076 30.699 6.380 1.00 4.44 C ATOM 873 O LEU A 57 7.397 31.125 7.490 1.00 25.01 O ATOM 874 CB LEU A 57 5.228 29.144 5.727 1.00 22.14 C ATOM 875 CG LEU A 57 4.675 27.732 5.533 1.00 14.52 C ATOM 876 CD1 LEU A 57 3.167 27.718 5.731 1.00 62.22 C ATOM 877 CD2 LEU A 57 5.038 27.202 4.153 1.00 54.43 C ATOM 0 H LEU A 57 6.078 28.509 8.059 1.00 53.34 H new ATOM 0 HA LEU A 57 7.329 28.804 5.423 1.00 41.32 H new ATOM 0 HB2 LEU A 57 4.603 29.660 6.456 1.00 22.14 H new ATOM 0 HB3 LEU A 57 5.131 29.683 4.785 1.00 22.14 H new ATOM 0 HG LEU A 57 5.126 27.080 6.281 1.00 14.52 H new ATOM 0 HD11 LEU A 57 2.791 26.705 5.589 1.00 62.22 H new ATOM 0 HD12 LEU A 57 2.929 28.055 6.740 1.00 62.22 H new ATOM 0 HD13 LEU A 57 2.699 28.384 5.006 1.00 62.22 H new ATOM 0 HD21 LEU A 57 4.636 26.196 4.032 1.00 54.43 H new ATOM 0 HD22 LEU A 57 4.616 27.855 3.390 1.00 54.43 H new ATOM 0 HD23 LEU A 57 6.123 27.175 4.047 1.00 54.43 H new ATOM 889 N ASP A 58 7.045 31.462 5.294 1.00 22.22 N ATOM 890 CA ASP A 58 7.394 32.877 5.343 1.00 23.10 C ATOM 891 C ASP A 58 6.195 33.746 4.978 1.00 53.11 C ATOM 892 O ASP A 58 5.907 33.961 3.799 1.00 71.11 O ATOM 893 CB ASP A 58 8.560 33.170 4.397 1.00 60.34 C ATOM 894 CG ASP A 58 8.345 32.585 3.015 1.00 4.33 C ATOM 895 OD1 ASP A 58 8.528 31.361 2.855 1.00 64.40 O1- ATOM 896 OD2 ASP A 58 7.993 33.352 2.094 1.00 31.41 O ATOM 0 H ASP A 58 6.782 31.125 4.368 1.00 22.22 H new ATOM 0 HA ASP A 58 7.695 33.116 6.363 1.00 23.10 H new ATOM 0 HB2 ASP A 58 8.695 34.248 4.315 1.00 60.34 H new ATOM 0 HB3 ASP A 58 9.479 32.765 4.821 1.00 60.34 H new ATOM 901 N LEU A 59 5.498 34.241 5.994 1.00 12.41 N ATOM 902 CA LEU A 59 4.328 35.086 5.780 1.00 61.11 C ATOM 903 C LEU A 59 4.597 36.515 6.240 1.00 53.10 C ATOM 904 O LEU A 59 5.416 36.765 7.124 1.00 43.12 O ATOM 905 CB LEU A 59 3.120 34.516 6.526 1.00 61.24 C ATOM 906 CG LEU A 59 2.821 33.036 6.290 1.00 41.24 C ATOM 907 CD1 LEU A 59 1.524 32.636 6.976 1.00 32.21 C ATOM 908 CD2 LEU A 59 2.752 32.737 4.799 1.00 1.12 C ATOM 0 H LEU A 59 5.722 34.072 6.975 1.00 12.41 H new ATOM 0 HA LEU A 59 4.113 35.103 4.712 1.00 61.11 H new ATOM 0 HB2 LEU A 59 3.273 34.669 7.594 1.00 61.24 H new ATOM 0 HB3 LEU A 59 2.239 35.093 6.244 1.00 61.24 H new ATOM 0 HG LEU A 59 3.632 32.449 6.721 1.00 41.24 H new ATOM 0 HD11 LEU A 59 1.328 31.579 6.796 1.00 32.21 H new ATOM 0 HD12 LEU A 59 1.610 32.812 8.048 1.00 32.21 H new ATOM 0 HD13 LEU A 59 0.702 33.230 6.576 1.00 32.21 H new ATOM 0 HD21 LEU A 59 2.538 31.679 4.650 1.00 1.12 H new ATOM 0 HD22 LEU A 59 1.962 33.334 4.344 1.00 1.12 H new ATOM 0 HD23 LEU A 59 3.706 32.984 4.334 1.00 1.12 H new ATOM 920 N PRO A 60 3.890 37.477 5.628 1.00 72.34 N ATOM 921 CA PRO A 60 4.033 38.897 5.960 1.00 43.15 C ATOM 922 C PRO A 60 3.475 39.229 7.340 1.00 50.24 C ATOM 923 O PRO A 60 4.202 39.215 8.333 1.00 44.12 O ATOM 924 CB PRO A 60 3.218 39.600 4.871 1.00 2.43 C ATOM 925 CG PRO A 60 2.218 38.587 4.434 1.00 40.55 C ATOM 926 CD PRO A 60 2.896 37.251 4.565 1.00 50.31 C ATOM 0 HA PRO A 60 5.078 39.204 5.995 1.00 43.15 H new ATOM 0 HB2 PRO A 60 2.732 40.496 5.257 1.00 2.43 H new ATOM 0 HB3 PRO A 60 3.852 39.914 4.042 1.00 2.43 H new ATOM 0 HG2 PRO A 60 1.322 38.632 5.052 1.00 40.55 H new ATOM 0 HG3 PRO A 60 1.905 38.766 3.405 1.00 40.55 H new ATOM 0 HD2 PRO A 60 2.189 36.466 4.836 1.00 50.31 H new ATOM 0 HD3 PRO A 60 3.368 36.946 3.631 1.00 50.31 H new ATOM 934 N GLU A 61 2.180 39.526 7.395 1.00 62.44 N ATOM 935 CA GLU A 61 1.526 39.862 8.654 1.00 50.50 C ATOM 936 C GLU A 61 0.045 40.158 8.436 1.00 12.05 C ATOM 937 O GLU A 61 -0.314 41.040 7.657 1.00 32.42 O ATOM 938 CB GLU A 61 2.209 41.067 9.303 1.00 73.34 C ATOM 939 CG GLU A 61 1.433 41.649 10.473 1.00 52.41 C ATOM 940 CD GLU A 61 0.712 42.934 10.113 1.00 72.55 C ATOM 941 OE1 GLU A 61 1.382 43.982 10.009 1.00 35.02 O1- ATOM 942 OE2 GLU A 61 -0.524 42.890 9.935 1.00 43.41 O ATOM 0 H GLU A 61 1.564 39.541 6.582 1.00 62.44 H new ATOM 0 HA GLU A 61 1.612 39.003 9.319 1.00 50.50 H new ATOM 0 HB2 GLU A 61 3.200 40.771 9.647 1.00 73.34 H new ATOM 0 HB3 GLU A 61 2.351 41.842 8.550 1.00 73.34 H new ATOM 0 HG2 GLU A 61 0.707 40.915 10.824 1.00 52.41 H new ATOM 0 HG3 GLU A 61 2.118 41.840 11.299 1.00 52.41 H new ATOM 949 N GLY A 62 -0.810 39.413 9.130 1.00 54.52 N ATOM 950 CA GLY A 62 -2.242 39.610 8.998 1.00 52.00 C ATOM 951 C GLY A 62 -3.021 38.320 9.158 1.00 61.55 C ATOM 952 O GLY A 62 -3.139 37.793 10.264 1.00 51.12 O ATOM 0 H GLY A 62 -0.537 38.677 9.781 1.00 54.52 H new ATOM 0 HA2 GLY A 62 -2.577 40.329 9.746 1.00 52.00 H new ATOM 0 HA3 GLY A 62 -2.458 40.042 8.021 1.00 52.00 H new ATOM 956 N GLU A 63 -3.557 37.813 8.052 1.00 53.44 N ATOM 957 CA GLU A 63 -4.332 36.578 8.077 1.00 52.42 C ATOM 958 C GLU A 63 -4.130 35.784 6.790 1.00 71.45 C ATOM 959 O GLU A 63 -4.166 36.369 5.708 1.00 35.41 O ATOM 960 CB GLU A 63 -5.818 36.887 8.271 1.00 13.45 C ATOM 961 CG GLU A 63 -6.732 35.724 7.922 1.00 1.11 C ATOM 962 CD GLU A 63 -8.071 35.801 8.629 1.00 63.01 C ATOM 963 OE1 GLU A 63 -8.135 36.415 9.715 1.00 62.20 O1- ATOM 964 OE2 GLU A 63 -9.056 35.249 8.095 1.00 35.44 O ATOM 0 H GLU A 63 -3.469 38.238 7.129 1.00 53.44 H new ATOM 0 HA GLU A 63 -3.981 35.975 8.915 1.00 52.42 H new ATOM 0 HB2 GLU A 63 -5.988 37.173 9.309 1.00 13.45 H new ATOM 0 HB3 GLU A 63 -6.085 37.746 7.655 1.00 13.45 H new ATOM 0 HG2 GLU A 63 -6.895 35.706 6.844 1.00 1.11 H new ATOM 0 HG3 GLU A 63 -6.240 34.788 8.186 1.00 1.11 H new ATOM 971 N HIS A 64 -3.924 34.483 6.933 1.00 3.13 N ATOM 972 CA HIS A 64 -3.719 33.626 5.777 1.00 20.42 C ATOM 973 C HIS A 64 -4.376 32.267 6.023 1.00 42.53 C ATOM 974 O HIS A 64 -4.494 31.795 7.154 1.00 73.42 O ATOM 975 CB HIS A 64 -2.230 33.513 5.443 1.00 3.20 C ATOM 976 CG HIS A 64 -1.470 34.811 5.580 1.00 31.31 C ATOM 977 ND1 HIS A 64 -1.185 35.631 4.503 1.00 32.22 N ATOM 978 CD2 HIS A 64 -0.939 35.421 6.679 1.00 2.30 C ATOM 979 CE1 HIS A 64 -0.513 36.683 4.944 1.00 4.25 C ATOM 980 NE2 HIS A 64 -0.361 36.551 6.293 1.00 51.03 N ATOM 0 H HIS A 64 -3.895 34.001 7.832 1.00 3.13 H new ATOM 0 HA HIS A 64 -4.196 34.068 4.902 1.00 20.42 H new ATOM 0 HB2 HIS A 64 -1.777 32.768 6.097 1.00 3.20 H new ATOM 0 HB3 HIS A 64 -2.124 33.148 4.422 1.00 3.20 H new ATOM 0 HD2 HIS A 64 -0.982 35.047 7.691 1.00 2.30 H new ATOM 0 HE1 HIS A 64 -0.149 37.502 4.341 1.00 4.25 H new ATOM 0 HE2 HIS A 64 0.118 37.212 6.904 1.00 51.03 H new ATOM 988 N GLN A 65 -4.804 31.644 4.930 1.00 53.30 N ATOM 989 CA GLN A 65 -5.453 30.340 4.998 1.00 30.02 C ATOM 990 C GLN A 65 -4.456 29.220 4.718 1.00 12.33 C ATOM 991 O GLN A 65 -3.404 29.448 4.119 1.00 60.12 O ATOM 992 CB GLN A 65 -6.610 30.270 4.001 1.00 12.55 C ATOM 993 CG GLN A 65 -7.883 30.935 4.498 1.00 10.33 C ATOM 994 CD GLN A 65 -8.538 30.170 5.631 1.00 53.50 C ATOM 995 OE1 GLN A 65 -8.871 30.741 6.670 1.00 5.54 O ATOM 996 NE2 GLN A 65 -8.726 28.870 5.437 1.00 52.31 N ATOM 0 H GLN A 65 -4.713 32.021 3.987 1.00 53.30 H new ATOM 0 HA GLN A 65 -5.844 30.209 6.007 1.00 30.02 H new ATOM 0 HB2 GLN A 65 -6.304 30.743 3.068 1.00 12.55 H new ATOM 0 HB3 GLN A 65 -6.821 29.225 3.775 1.00 12.55 H new ATOM 0 HG2 GLN A 65 -7.653 31.946 4.833 1.00 10.33 H new ATOM 0 HG3 GLN A 65 -8.587 31.026 3.671 1.00 10.33 H new ATOM 0 HE21 GLN A 65 -8.435 28.438 4.560 1.00 52.31 H new ATOM 0 HE22 GLN A 65 -9.162 28.304 6.165 1.00 52.31 H new ATOM 1005 N TYR A 66 -4.793 28.012 5.154 1.00 44.22 N ATOM 1006 CA TYR A 66 -3.926 26.857 4.953 1.00 44.05 C ATOM 1007 C TYR A 66 -4.675 25.558 5.230 1.00 74.13 C ATOM 1008 O TYR A 66 -5.752 25.563 5.827 1.00 55.35 O ATOM 1009 CB TYR A 66 -2.696 26.952 5.858 1.00 51.25 C ATOM 1010 CG TYR A 66 -2.973 26.582 7.297 1.00 25.41 C ATOM 1011 CD1 TYR A 66 -3.721 27.418 8.118 1.00 33.23 C ATOM 1012 CD2 TYR A 66 -2.487 25.398 7.837 1.00 60.42 C ATOM 1013 CE1 TYR A 66 -3.976 27.084 9.434 1.00 54.24 C ATOM 1014 CE2 TYR A 66 -2.738 25.056 9.151 1.00 74.14 C ATOM 1015 CZ TYR A 66 -3.483 25.902 9.946 1.00 3.41 C ATOM 1016 OH TYR A 66 -3.735 25.566 11.256 1.00 4.23 O ATOM 0 H TYR A 66 -5.661 27.807 5.649 1.00 44.22 H new ATOM 0 HA TYR A 66 -3.604 26.854 3.912 1.00 44.05 H new ATOM 0 HB2 TYR A 66 -1.916 26.298 5.467 1.00 51.25 H new ATOM 0 HB3 TYR A 66 -2.306 27.969 5.822 1.00 51.25 H new ATOM 0 HD1 TYR A 66 -4.109 28.344 7.720 1.00 33.23 H new ATOM 0 HD2 TYR A 66 -1.903 24.733 7.218 1.00 60.42 H new ATOM 0 HE1 TYR A 66 -4.558 27.745 10.059 1.00 54.24 H new ATOM 0 HE2 TYR A 66 -2.353 24.131 9.554 1.00 74.14 H new ATOM 0 HH TYR A 66 -3.478 26.310 11.840 1.00 4.23 H new ATOM 1026 N LYS A 67 -4.098 24.444 4.792 1.00 63.21 N ATOM 1027 CA LYS A 67 -4.708 23.135 4.993 1.00 53.24 C ATOM 1028 C LYS A 67 -3.642 22.050 5.104 1.00 15.33 C ATOM 1029 O LYS A 67 -2.607 22.112 4.441 1.00 64.42 O ATOM 1030 CB LYS A 67 -5.662 22.812 3.841 1.00 51.31 C ATOM 1031 CG LYS A 67 -6.544 21.604 4.102 1.00 50.42 C ATOM 1032 CD LYS A 67 -7.834 21.997 4.803 1.00 54.14 C ATOM 1033 CE LYS A 67 -7.774 21.695 6.293 1.00 21.22 C ATOM 1034 NZ LYS A 67 -8.798 20.693 6.697 1.00 73.50 N1+ ATOM 0 H LYS A 67 -3.208 24.422 4.295 1.00 63.21 H new ATOM 0 HA LYS A 67 -5.271 23.163 5.926 1.00 53.24 H new ATOM 0 HB2 LYS A 67 -6.295 23.679 3.651 1.00 51.31 H new ATOM 0 HB3 LYS A 67 -5.080 22.637 2.936 1.00 51.31 H new ATOM 0 HG2 LYS A 67 -6.777 21.112 3.158 1.00 50.42 H new ATOM 0 HG3 LYS A 67 -6.002 20.882 4.713 1.00 50.42 H new ATOM 0 HD2 LYS A 67 -8.021 23.060 4.654 1.00 54.14 H new ATOM 0 HD3 LYS A 67 -8.671 21.460 4.355 1.00 54.14 H new ATOM 0 HE2 LYS A 67 -6.782 21.323 6.549 1.00 21.22 H new ATOM 0 HE3 LYS A 67 -7.925 22.616 6.857 1.00 21.22 H new ATOM 0 HZ1 LYS A 67 -8.542 20.288 7.620 1.00 73.50 H new ATOM 0 HZ2 LYS A 67 -9.727 21.155 6.767 1.00 73.50 H new ATOM 0 HZ3 LYS A 67 -8.841 19.935 5.987 1.00 73.50 H new ATOM 1048 N PHE A 68 -3.903 21.055 5.947 1.00 0.43 N ATOM 1049 CA PHE A 68 -2.966 19.955 6.144 1.00 43.24 C ATOM 1050 C PHE A 68 -3.194 18.855 5.112 1.00 51.11 C ATOM 1051 O PHE A 68 -4.318 18.633 4.662 1.00 1.31 O ATOM 1052 CB PHE A 68 -3.108 19.384 7.556 1.00 73.30 C ATOM 1053 CG PHE A 68 -2.483 20.244 8.617 1.00 43.41 C ATOM 1054 CD1 PHE A 68 -1.106 20.387 8.689 1.00 14.15 C ATOM 1055 CD2 PHE A 68 -3.271 20.908 9.543 1.00 41.10 C ATOM 1056 CE1 PHE A 68 -0.527 21.178 9.663 1.00 73.42 C ATOM 1057 CE2 PHE A 68 -2.697 21.700 10.520 1.00 25.24 C ATOM 1058 CZ PHE A 68 -1.324 21.834 10.581 1.00 11.45 C ATOM 0 H PHE A 68 -4.755 20.988 6.504 1.00 0.43 H new ATOM 0 HA PHE A 68 -1.956 20.343 6.017 1.00 43.24 H new ATOM 0 HB2 PHE A 68 -4.166 19.254 7.782 1.00 73.30 H new ATOM 0 HB3 PHE A 68 -2.652 18.394 7.587 1.00 73.30 H new ATOM 0 HD1 PHE A 68 -0.478 19.874 7.975 1.00 14.15 H new ATOM 0 HD2 PHE A 68 -4.345 20.806 9.501 1.00 41.10 H new ATOM 0 HE1 PHE A 68 0.547 21.283 9.706 1.00 73.42 H new ATOM 0 HE2 PHE A 68 -3.322 22.214 11.235 1.00 25.24 H new ATOM 0 HZ PHE A 68 -0.874 22.451 11.345 1.00 11.45 H new ATOM 1068 N PHE A 69 -2.118 18.168 4.742 1.00 45.12 N ATOM 1069 CA PHE A 69 -2.199 17.091 3.762 1.00 72.31 C ATOM 1070 C PHE A 69 -1.465 15.848 4.257 1.00 34.23 C ATOM 1071 O PHE A 69 -0.235 15.798 4.255 1.00 4.23 O ATOM 1072 CB PHE A 69 -1.611 17.545 2.424 1.00 74.52 C ATOM 1073 CG PHE A 69 -2.250 16.886 1.235 1.00 34.54 C ATOM 1074 CD1 PHE A 69 -3.623 16.932 1.055 1.00 34.50 C ATOM 1075 CD2 PHE A 69 -1.477 16.223 0.295 1.00 61.42 C ATOM 1076 CE1 PHE A 69 -4.213 16.326 -0.038 1.00 50.31 C ATOM 1077 CE2 PHE A 69 -2.061 15.616 -0.800 1.00 54.41 C ATOM 1078 CZ PHE A 69 -3.431 15.668 -0.967 1.00 73.11 C ATOM 0 H PHE A 69 -1.180 18.338 5.106 1.00 45.12 H new ATOM 0 HA PHE A 69 -3.250 16.839 3.623 1.00 72.31 H new ATOM 0 HB2 PHE A 69 -1.723 18.626 2.335 1.00 74.52 H new ATOM 0 HB3 PHE A 69 -0.542 17.334 2.416 1.00 74.52 H new ATOM 0 HD1 PHE A 69 -4.239 17.447 1.777 1.00 34.50 H new ATOM 0 HD2 PHE A 69 -0.405 16.180 0.420 1.00 61.42 H new ATOM 0 HE1 PHE A 69 -5.285 16.367 -0.166 1.00 50.31 H new ATOM 0 HE2 PHE A 69 -1.447 15.102 -1.524 1.00 54.41 H new ATOM 0 HZ PHE A 69 -3.890 15.195 -1.823 1.00 73.11 H new ATOM 1088 N VAL A 70 -2.229 14.847 4.683 1.00 45.13 N ATOM 1089 CA VAL A 70 -1.653 13.604 5.181 1.00 12.31 C ATOM 1090 C VAL A 70 -2.178 12.404 4.401 1.00 74.44 C ATOM 1091 O VAL A 70 -3.386 12.246 4.223 1.00 2.54 O ATOM 1092 CB VAL A 70 -1.959 13.404 6.677 1.00 34.31 C ATOM 1093 CG1 VAL A 70 -1.218 12.190 7.216 1.00 42.23 C ATOM 1094 CG2 VAL A 70 -1.598 14.653 7.466 1.00 33.01 C ATOM 0 H VAL A 70 -3.249 14.873 4.693 1.00 45.13 H new ATOM 0 HA VAL A 70 -0.574 13.678 5.045 1.00 12.31 H new ATOM 0 HB VAL A 70 -3.028 13.227 6.791 1.00 34.31 H new ATOM 0 HG11 VAL A 70 -1.446 12.065 8.274 1.00 42.23 H new ATOM 0 HG12 VAL A 70 -1.531 11.300 6.669 1.00 42.23 H new ATOM 0 HG13 VAL A 70 -0.145 12.334 7.091 1.00 42.23 H new ATOM 0 HG21 VAL A 70 -1.821 14.494 8.521 1.00 33.01 H new ATOM 0 HG22 VAL A 70 -0.535 14.864 7.347 1.00 33.01 H new ATOM 0 HG23 VAL A 70 -2.179 15.498 7.096 1.00 33.01 H new ATOM 1104 N ASP A 71 -1.262 11.559 3.939 1.00 1.00 N ATOM 1105 CA ASP A 71 -1.632 10.371 3.179 1.00 43.14 C ATOM 1106 C ASP A 71 -2.559 10.733 2.022 1.00 50.35 C ATOM 1107 O ASP A 71 -3.558 10.056 1.779 1.00 35.40 O ATOM 1108 CB ASP A 71 -2.309 9.347 4.090 1.00 2.43 C ATOM 1109 CG ASP A 71 -2.168 7.929 3.573 1.00 3.42 C ATOM 1110 OD1 ASP A 71 -1.070 7.351 3.715 1.00 70.50 O ATOM 1111 OD2 ASP A 71 -3.157 7.396 3.027 1.00 33.12 O1- ATOM 0 H ASP A 71 -0.258 11.675 4.078 1.00 1.00 H new ATOM 0 HA ASP A 71 -0.722 9.934 2.769 1.00 43.14 H new ATOM 0 HB2 ASP A 71 -1.876 9.411 5.088 1.00 2.43 H new ATOM 0 HB3 ASP A 71 -3.367 9.593 4.185 1.00 2.43 H new ATOM 1116 N GLY A 72 -2.222 11.805 1.313 1.00 50.22 N ATOM 1117 CA GLY A 72 -3.035 12.239 0.192 1.00 61.42 C ATOM 1118 C GLY A 72 -4.474 12.505 0.588 1.00 44.45 C ATOM 1119 O GLY A 72 -5.377 12.430 -0.245 1.00 1.33 O ATOM 0 H GLY A 72 -1.400 12.381 1.495 1.00 50.22 H new ATOM 0 HA2 GLY A 72 -2.605 13.145 -0.235 1.00 61.42 H new ATOM 0 HA3 GLY A 72 -3.011 11.477 -0.587 1.00 61.42 H new ATOM 1123 N GLN A 73 -4.688 12.815 1.862 1.00 51.05 N ATOM 1124 CA GLN A 73 -6.028 13.091 2.366 1.00 43.53 C ATOM 1125 C GLN A 73 -6.067 14.423 3.109 1.00 15.15 C ATOM 1126 O GLN A 73 -5.066 14.856 3.678 1.00 61.23 O ATOM 1127 CB GLN A 73 -6.489 11.964 3.292 1.00 0.22 C ATOM 1128 CG GLN A 73 -7.153 10.809 2.560 1.00 40.22 C ATOM 1129 CD GLN A 73 -8.140 10.056 3.430 1.00 75.24 C ATOM 1130 OE1 GLN A 73 -9.281 9.820 3.033 1.00 21.24 O ATOM 1131 NE2 GLN A 73 -7.705 9.674 4.625 1.00 65.41 N ATOM 0 H GLN A 73 -3.951 12.881 2.564 1.00 51.05 H new ATOM 0 HA GLN A 73 -6.704 13.152 1.513 1.00 43.53 H new ATOM 0 HB2 GLN A 73 -5.630 11.586 3.846 1.00 0.22 H new ATOM 0 HB3 GLN A 73 -7.188 12.369 4.024 1.00 0.22 H new ATOM 0 HG2 GLN A 73 -7.669 11.191 1.679 1.00 40.22 H new ATOM 0 HG3 GLN A 73 -6.386 10.119 2.206 1.00 40.22 H new ATOM 0 HE21 GLN A 73 -6.751 9.891 4.914 1.00 65.41 H new ATOM 0 HE22 GLN A 73 -8.325 9.164 5.254 1.00 65.41 H new ATOM 1140 N TRP A 74 -7.229 15.066 3.098 1.00 43.42 N ATOM 1141 CA TRP A 74 -7.398 16.349 3.771 1.00 50.15 C ATOM 1142 C TRP A 74 -7.835 16.152 5.218 1.00 34.22 C ATOM 1143 O TRP A 74 -8.767 15.398 5.498 1.00 13.41 O ATOM 1144 CB TRP A 74 -8.423 17.207 3.028 1.00 44.15 C ATOM 1145 CG TRP A 74 -8.203 17.245 1.546 1.00 14.24 C ATOM 1146 CD1 TRP A 74 -8.800 16.452 0.608 1.00 12.12 C ATOM 1147 CD2 TRP A 74 -7.323 18.121 0.833 1.00 71.21 C ATOM 1148 NE1 TRP A 74 -8.343 16.782 -0.646 1.00 23.51 N ATOM 1149 CE2 TRP A 74 -7.437 17.803 -0.535 1.00 41.42 C ATOM 1150 CE3 TRP A 74 -6.451 19.144 1.216 1.00 71.12 C ATOM 1151 CZ2 TRP A 74 -6.712 18.472 -1.517 1.00 12.21 C ATOM 1152 CZ3 TRP A 74 -5.731 19.806 0.240 1.00 44.24 C ATOM 1153 CH2 TRP A 74 -5.865 19.469 -1.114 1.00 51.10 C ATOM 0 H TRP A 74 -8.067 14.721 2.631 1.00 43.42 H new ATOM 0 HA TRP A 74 -6.436 16.861 3.769 1.00 50.15 H new ATOM 0 HB2 TRP A 74 -9.423 16.822 3.230 1.00 44.15 H new ATOM 0 HB3 TRP A 74 -8.387 18.224 3.420 1.00 44.15 H new ATOM 0 HD1 TRP A 74 -9.524 15.680 0.820 1.00 12.12 H new ATOM 0 HE1 TRP A 74 -8.632 16.338 -1.518 1.00 23.51 H new ATOM 0 HE3 TRP A 74 -6.342 19.412 2.256 1.00 71.12 H new ATOM 0 HZ2 TRP A 74 -6.814 18.213 -2.561 1.00 12.21 H new ATOM 0 HZ3 TRP A 74 -5.053 20.597 0.525 1.00 44.24 H new ATOM 0 HH2 TRP A 74 -5.289 20.006 -1.853 1.00 51.10 H new ATOM 1164 N VAL A 75 -7.156 16.834 6.135 1.00 2.43 N ATOM 1165 CA VAL A 75 -7.476 16.735 7.554 1.00 44.01 C ATOM 1166 C VAL A 75 -7.247 18.065 8.264 1.00 31.52 C ATOM 1167 O VAL A 75 -6.450 18.890 7.817 1.00 30.21 O ATOM 1168 CB VAL A 75 -6.634 15.646 8.244 1.00 3.12 C ATOM 1169 CG1 VAL A 75 -7.056 14.263 7.770 1.00 12.40 C ATOM 1170 CG2 VAL A 75 -5.152 15.876 7.988 1.00 31.10 C ATOM 0 H VAL A 75 -6.381 17.461 5.920 1.00 2.43 H new ATOM 0 HA VAL A 75 -8.530 16.467 7.623 1.00 44.01 H new ATOM 0 HB VAL A 75 -6.808 15.704 9.318 1.00 3.12 H new ATOM 0 HG11 VAL A 75 -6.450 13.507 8.269 1.00 12.40 H new ATOM 0 HG12 VAL A 75 -8.107 14.101 8.009 1.00 12.40 H new ATOM 0 HG13 VAL A 75 -6.914 14.189 6.692 1.00 12.40 H new ATOM 0 HG21 VAL A 75 -4.572 15.097 8.483 1.00 31.10 H new ATOM 0 HG22 VAL A 75 -4.959 15.846 6.916 1.00 31.10 H new ATOM 0 HG23 VAL A 75 -4.862 16.850 8.382 1.00 31.10 H new ATOM 1180 N HIS A 76 -7.952 18.266 9.373 1.00 63.01 N ATOM 1181 CA HIS A 76 -7.826 19.496 10.146 1.00 74.30 C ATOM 1182 C HIS A 76 -7.279 19.207 11.541 1.00 62.21 C ATOM 1183 O HIS A 76 -7.358 18.079 12.027 1.00 72.04 O ATOM 1184 CB HIS A 76 -9.179 20.200 10.251 1.00 70.12 C ATOM 1185 CG HIS A 76 -10.108 19.565 11.240 1.00 2.15 C ATOM 1186 ND1 HIS A 76 -10.929 18.502 10.926 1.00 13.43 N ATOM 1187 CD2 HIS A 76 -10.343 19.849 12.542 1.00 41.33 C ATOM 1188 CE1 HIS A 76 -11.629 18.160 11.993 1.00 11.05 C ATOM 1189 NE2 HIS A 76 -11.292 18.961 12.987 1.00 32.15 N ATOM 0 H HIS A 76 -8.616 17.593 9.756 1.00 63.01 H new ATOM 0 HA HIS A 76 -7.125 20.151 9.628 1.00 74.30 H new ATOM 0 HB2 HIS A 76 -9.017 21.241 10.533 1.00 70.12 H new ATOM 0 HB3 HIS A 76 -9.654 20.205 9.270 1.00 70.12 H new ATOM 0 HD2 HIS A 76 -9.872 20.628 13.123 1.00 41.33 H new ATOM 0 HE1 HIS A 76 -12.354 17.361 12.044 1.00 11.05 H new ATOM 0 HE2 HIS A 76 -11.674 18.926 13.932 1.00 32.15 H new ATOM 1197 N ASP A 77 -6.725 20.233 12.178 1.00 1.43 N ATOM 1198 CA ASP A 77 -6.166 20.089 13.517 1.00 33.21 C ATOM 1199 C ASP A 77 -7.146 20.594 14.572 1.00 70.34 C ATOM 1200 O ASP A 77 -7.655 21.712 14.497 1.00 64.41 O ATOM 1201 CB ASP A 77 -4.844 20.850 13.625 1.00 62.43 C ATOM 1202 CG ASP A 77 -3.939 20.289 14.704 1.00 63.34 C ATOM 1203 OD1 ASP A 77 -3.725 19.058 14.719 1.00 41.33 O ATOM 1204 OD2 ASP A 77 -3.444 21.080 15.534 1.00 44.05 O1- ATOM 0 H ASP A 77 -6.651 21.173 11.789 1.00 1.43 H new ATOM 0 HA ASP A 77 -5.982 19.030 13.696 1.00 33.21 H new ATOM 0 HB2 ASP A 77 -4.327 20.813 12.666 1.00 62.43 H new ATOM 0 HB3 ASP A 77 -5.049 21.900 13.836 1.00 62.43 H new ATOM 1209 N PRO A 78 -7.418 19.750 15.579 1.00 20.45 N ATOM 1210 CA PRO A 78 -8.338 20.089 16.668 1.00 45.12 C ATOM 1211 C PRO A 78 -7.775 21.164 17.591 1.00 52.21 C ATOM 1212 O PRO A 78 -8.518 21.828 18.314 1.00 23.20 O ATOM 1213 CB PRO A 78 -8.497 18.766 17.423 1.00 71.01 C ATOM 1214 CG PRO A 78 -7.248 18.009 17.127 1.00 2.41 C ATOM 1215 CD PRO A 78 -6.847 18.401 15.732 1.00 33.02 C ATOM 0 HA PRO A 78 -9.277 20.499 16.295 1.00 45.12 H new ATOM 0 HB2 PRO A 78 -8.615 18.933 18.494 1.00 71.01 H new ATOM 0 HB3 PRO A 78 -9.379 18.222 17.086 1.00 71.01 H new ATOM 0 HG2 PRO A 78 -6.463 18.256 17.842 1.00 2.41 H new ATOM 0 HG3 PRO A 78 -7.417 16.934 17.197 1.00 2.41 H new ATOM 0 HD2 PRO A 78 -5.764 18.407 15.612 1.00 33.02 H new ATOM 0 HD3 PRO A 78 -7.246 17.709 14.990 1.00 33.02 H new ATOM 1223 N SER A 79 -6.456 21.331 17.561 1.00 35.34 N ATOM 1224 CA SER A 79 -5.792 22.324 18.398 1.00 5.14 C ATOM 1225 C SER A 79 -5.821 23.698 17.736 1.00 2.34 C ATOM 1226 O SER A 79 -5.800 24.725 18.414 1.00 53.41 O ATOM 1227 CB SER A 79 -4.346 21.906 18.671 1.00 42.01 C ATOM 1228 OG SER A 79 -3.612 22.966 19.260 1.00 3.14 O ATOM 0 H SER A 79 -5.827 20.792 16.966 1.00 35.34 H new ATOM 0 HA SER A 79 -6.329 22.385 19.344 1.00 5.14 H new ATOM 0 HB2 SER A 79 -4.333 21.039 19.332 1.00 42.01 H new ATOM 0 HB3 SER A 79 -3.869 21.603 17.739 1.00 42.01 H new ATOM 0 HG SER A 79 -2.691 22.674 19.426 1.00 3.14 H new ATOM 1234 N GLU A 80 -5.868 23.707 16.408 1.00 34.21 N ATOM 1235 CA GLU A 80 -5.898 24.955 15.654 1.00 31.11 C ATOM 1236 C GLU A 80 -7.311 25.263 15.167 1.00 4.43 C ATOM 1237 O GLU A 80 -8.169 24.385 15.080 1.00 53.10 O ATOM 1238 CB GLU A 80 -4.941 24.880 14.462 1.00 21.12 C ATOM 1239 CG GLU A 80 -3.508 25.250 14.807 1.00 61.25 C ATOM 1240 CD GLU A 80 -3.220 26.724 14.599 1.00 12.23 C ATOM 1241 OE1 GLU A 80 -3.221 27.169 13.432 1.00 23.05 O ATOM 1242 OE2 GLU A 80 -2.993 27.432 15.602 1.00 54.30 O1- ATOM 0 H GLU A 80 -5.886 22.865 15.832 1.00 34.21 H new ATOM 0 HA GLU A 80 -5.578 25.758 16.318 1.00 31.11 H new ATOM 0 HB2 GLU A 80 -4.958 23.869 14.056 1.00 21.12 H new ATOM 0 HB3 GLU A 80 -5.300 25.545 13.676 1.00 21.12 H new ATOM 0 HG2 GLU A 80 -3.309 24.988 15.846 1.00 61.25 H new ATOM 0 HG3 GLU A 80 -2.827 24.660 14.194 1.00 61.25 H new ATOM 1249 N PRO A 81 -7.560 26.541 14.843 1.00 71.34 N ATOM 1250 CA PRO A 81 -8.867 26.994 14.360 1.00 12.23 C ATOM 1251 C PRO A 81 -9.180 26.476 12.961 1.00 54.22 C ATOM 1252 O PRO A 81 -8.302 26.416 12.099 1.00 51.34 O ATOM 1253 CB PRO A 81 -8.731 28.519 14.348 1.00 53.15 C ATOM 1254 CG PRO A 81 -7.269 28.768 14.202 1.00 44.41 C ATOM 1255 CD PRO A 81 -6.584 27.640 14.923 1.00 34.31 C ATOM 0 HA PRO A 81 -9.682 26.630 14.986 1.00 12.23 H new ATOM 0 HB2 PRO A 81 -9.292 28.960 13.524 1.00 53.15 H new ATOM 0 HB3 PRO A 81 -9.117 28.958 15.268 1.00 53.15 H new ATOM 0 HG2 PRO A 81 -6.980 28.792 13.151 1.00 44.41 H new ATOM 0 HG3 PRO A 81 -6.992 29.731 14.631 1.00 44.41 H new ATOM 0 HD2 PRO A 81 -5.640 27.374 14.448 1.00 34.31 H new ATOM 0 HD3 PRO A 81 -6.358 27.902 15.957 1.00 34.31 H new ATOM 1263 N VAL A 82 -10.436 26.103 12.740 1.00 52.51 N ATOM 1264 CA VAL A 82 -10.865 25.591 11.444 1.00 44.45 C ATOM 1265 C VAL A 82 -11.977 26.452 10.853 1.00 64.55 C ATOM 1266 O VAL A 82 -12.830 26.965 11.577 1.00 3.43 O ATOM 1267 CB VAL A 82 -11.359 24.136 11.550 1.00 4.41 C ATOM 1268 CG1 VAL A 82 -10.293 23.255 12.183 1.00 71.24 C ATOM 1269 CG2 VAL A 82 -12.656 24.071 12.344 1.00 72.14 C ATOM 0 H VAL A 82 -11.175 26.146 13.442 1.00 52.51 H new ATOM 0 HA VAL A 82 -9.995 25.624 10.788 1.00 44.45 H new ATOM 0 HB VAL A 82 -11.555 23.763 10.545 1.00 4.41 H new ATOM 0 HG11 VAL A 82 -10.660 22.231 12.250 1.00 71.24 H new ATOM 0 HG12 VAL A 82 -9.391 23.278 11.571 1.00 71.24 H new ATOM 0 HG13 VAL A 82 -10.063 23.624 13.183 1.00 71.24 H new ATOM 0 HG21 VAL A 82 -12.991 23.036 12.409 1.00 72.14 H new ATOM 0 HG22 VAL A 82 -12.488 24.462 13.347 1.00 72.14 H new ATOM 0 HG23 VAL A 82 -13.419 24.668 11.845 1.00 72.14 H new ATOM 1279 N VAL A 83 -11.962 26.605 9.533 1.00 50.41 N ATOM 1280 CA VAL A 83 -12.969 27.402 8.844 1.00 1.01 C ATOM 1281 C VAL A 83 -13.813 26.537 7.915 1.00 10.44 C ATOM 1282 O VAL A 83 -13.549 25.346 7.746 1.00 73.11 O ATOM 1283 CB VAL A 83 -12.325 28.537 8.027 1.00 15.32 C ATOM 1284 CG1 VAL A 83 -11.395 29.364 8.902 1.00 40.22 C ATOM 1285 CG2 VAL A 83 -11.578 27.972 6.828 1.00 11.55 C ATOM 0 H VAL A 83 -11.263 26.187 8.919 1.00 50.41 H new ATOM 0 HA VAL A 83 -13.609 27.836 9.612 1.00 1.01 H new ATOM 0 HB VAL A 83 -13.116 29.190 7.659 1.00 15.32 H new ATOM 0 HG11 VAL A 83 -10.949 30.161 8.307 1.00 40.22 H new ATOM 0 HG12 VAL A 83 -11.961 29.799 9.725 1.00 40.22 H new ATOM 0 HG13 VAL A 83 -10.607 28.725 9.301 1.00 40.22 H new ATOM 0 HG21 VAL A 83 -11.129 28.788 6.262 1.00 11.55 H new ATOM 0 HG22 VAL A 83 -10.796 27.296 7.172 1.00 11.55 H new ATOM 0 HG23 VAL A 83 -12.274 27.427 6.190 1.00 11.55 H new ATOM 1295 N THR A 84 -14.831 27.144 7.312 1.00 44.21 N ATOM 1296 CA THR A 84 -15.715 26.430 6.399 1.00 74.32 C ATOM 1297 C THR A 84 -15.717 27.075 5.018 1.00 53.33 C ATOM 1298 O THR A 84 -16.082 28.241 4.868 1.00 51.12 O ATOM 1299 CB THR A 84 -17.158 26.385 6.935 1.00 3.04 C ATOM 1300 OG1 THR A 84 -17.157 26.538 8.359 1.00 23.43 O ATOM 1301 CG2 THR A 84 -17.834 25.075 6.561 1.00 25.03 C ATOM 0 H THR A 84 -15.063 28.129 7.440 1.00 44.21 H new ATOM 0 HA THR A 84 -15.333 25.412 6.320 1.00 74.32 H new ATOM 0 HB THR A 84 -17.716 27.205 6.482 1.00 3.04 H new ATOM 0 HG1 THR A 84 -18.078 26.510 8.692 1.00 23.43 H new ATOM 0 HG21 THR A 84 -18.852 25.067 6.951 1.00 25.03 H new ATOM 0 HG22 THR A 84 -17.860 24.976 5.476 1.00 25.03 H new ATOM 0 HG23 THR A 84 -17.275 24.242 6.988 1.00 25.03 H new ATOM 1309 N SER A 85 -15.307 26.310 4.012 1.00 12.31 N ATOM 1310 CA SER A 85 -15.259 26.809 2.642 1.00 62.15 C ATOM 1311 C SER A 85 -16.659 26.875 2.039 1.00 62.25 C ATOM 1312 O SER A 85 -17.642 26.519 2.687 1.00 25.40 O ATOM 1313 CB SER A 85 -14.363 25.915 1.783 1.00 73.20 C ATOM 1314 OG SER A 85 -13.023 25.941 2.244 1.00 45.01 O ATOM 0 H SER A 85 -15.003 25.342 4.119 1.00 12.31 H new ATOM 0 HA SER A 85 -14.843 27.816 2.662 1.00 62.15 H new ATOM 0 HB2 SER A 85 -14.738 24.892 1.804 1.00 73.20 H new ATOM 0 HB3 SER A 85 -14.400 26.247 0.746 1.00 73.20 H new ATOM 0 HG SER A 85 -12.471 25.360 1.679 1.00 45.01 H new ATOM 1320 N GLN A 86 -16.738 27.335 0.794 1.00 54.44 N ATOM 1321 CA GLN A 86 -18.017 27.449 0.103 1.00 2.41 C ATOM 1322 C GLN A 86 -18.534 26.077 -0.317 1.00 50.10 C ATOM 1323 O GLN A 86 -19.721 25.908 -0.600 1.00 4.23 O ATOM 1324 CB GLN A 86 -17.879 28.352 -1.123 1.00 4.33 C ATOM 1325 CG GLN A 86 -17.438 29.768 -0.789 1.00 61.13 C ATOM 1326 CD GLN A 86 -18.382 30.463 0.172 1.00 54.21 C ATOM 1327 OE1 GLN A 86 -18.292 30.285 1.387 1.00 53.21 O ATOM 1328 NE2 GLN A 86 -19.297 31.260 -0.369 1.00 50.44 N ATOM 0 H GLN A 86 -15.933 27.634 0.244 1.00 54.44 H new ATOM 0 HA GLN A 86 -18.735 27.892 0.793 1.00 2.41 H new ATOM 0 HB2 GLN A 86 -17.159 27.909 -1.811 1.00 4.33 H new ATOM 0 HB3 GLN A 86 -18.835 28.392 -1.644 1.00 4.33 H new ATOM 0 HG2 GLN A 86 -16.439 29.740 -0.354 1.00 61.13 H new ATOM 0 HG3 GLN A 86 -17.369 30.349 -1.709 1.00 61.13 H new ATOM 0 HE21 GLN A 86 -19.336 31.379 -1.381 1.00 50.44 H new ATOM 0 HE22 GLN A 86 -19.961 31.753 0.228 1.00 50.44 H new ATOM 1337 N LEU A 87 -17.635 25.099 -0.356 1.00 53.55 N ATOM 1338 CA LEU A 87 -18.000 23.740 -0.742 1.00 32.15 C ATOM 1339 C LEU A 87 -18.242 22.871 0.488 1.00 71.20 C ATOM 1340 O LEU A 87 -18.146 21.646 0.424 1.00 72.13 O ATOM 1341 CB LEU A 87 -16.901 23.123 -1.609 1.00 52.11 C ATOM 1342 CG LEU A 87 -16.353 24.008 -2.729 1.00 71.13 C ATOM 1343 CD1 LEU A 87 -17.474 24.809 -3.373 1.00 0.40 C ATOM 1344 CD2 LEU A 87 -15.271 24.935 -2.195 1.00 21.21 C ATOM 0 H LEU A 87 -16.649 25.222 -0.125 1.00 53.55 H new ATOM 0 HA LEU A 87 -18.924 23.788 -1.317 1.00 32.15 H new ATOM 0 HB2 LEU A 87 -16.073 22.837 -0.961 1.00 52.11 H new ATOM 0 HB3 LEU A 87 -17.289 22.207 -2.054 1.00 52.11 H new ATOM 0 HG LEU A 87 -15.910 23.366 -3.490 1.00 71.13 H new ATOM 0 HD11 LEU A 87 -17.065 25.433 -4.168 1.00 0.40 H new ATOM 0 HD12 LEU A 87 -18.214 24.127 -3.791 1.00 0.40 H new ATOM 0 HD13 LEU A 87 -17.947 25.442 -2.622 1.00 0.40 H new ATOM 0 HD21 LEU A 87 -14.892 25.557 -3.006 1.00 21.21 H new ATOM 0 HD22 LEU A 87 -15.689 25.571 -1.414 1.00 21.21 H new ATOM 0 HD23 LEU A 87 -14.455 24.342 -1.782 1.00 21.21 H new ATOM 1356 N GLY A 88 -18.560 23.514 1.607 1.00 42.12 N ATOM 1357 CA GLY A 88 -18.813 22.784 2.836 1.00 24.33 C ATOM 1358 C GLY A 88 -17.611 21.981 3.292 1.00 1.42 C ATOM 1359 O GLY A 88 -17.747 21.022 4.052 1.00 3.52 O ATOM 0 H GLY A 88 -18.647 24.527 1.685 1.00 42.12 H new ATOM 0 HA2 GLY A 88 -19.096 23.486 3.620 1.00 24.33 H new ATOM 0 HA3 GLY A 88 -19.659 22.113 2.689 1.00 24.33 H new ATOM 1363 N THR A 89 -16.429 22.372 2.825 1.00 71.55 N ATOM 1364 CA THR A 89 -15.198 21.681 3.187 1.00 55.20 C ATOM 1365 C THR A 89 -14.481 22.395 4.327 1.00 10.24 C ATOM 1366 O THR A 89 -14.283 23.609 4.283 1.00 41.43 O ATOM 1367 CB THR A 89 -14.242 21.569 1.984 1.00 22.31 C ATOM 1368 OG1 THR A 89 -13.690 22.854 1.676 1.00 42.53 O ATOM 1369 CG2 THR A 89 -14.967 21.017 0.766 1.00 71.24 C ATOM 0 H THR A 89 -16.299 23.164 2.195 1.00 71.55 H new ATOM 0 HA THR A 89 -15.481 20.680 3.511 1.00 55.20 H new ATOM 0 HB THR A 89 -13.438 20.883 2.250 1.00 22.31 H new ATOM 0 HG1 THR A 89 -13.082 22.774 0.911 1.00 42.53 H new ATOM 0 HG21 THR A 89 -14.272 20.947 -0.071 1.00 71.24 H new ATOM 0 HG22 THR A 89 -15.360 20.027 0.995 1.00 71.24 H new ATOM 0 HG23 THR A 89 -15.789 21.681 0.500 1.00 71.24 H new ATOM 1377 N ILE A 90 -14.095 21.634 5.345 1.00 15.44 N ATOM 1378 CA ILE A 90 -13.398 22.195 6.496 1.00 62.33 C ATOM 1379 C ILE A 90 -11.975 22.604 6.131 1.00 55.32 C ATOM 1380 O ILE A 90 -11.261 21.867 5.453 1.00 54.04 O ATOM 1381 CB ILE A 90 -13.349 21.196 7.667 1.00 62.51 C ATOM 1382 CG1 ILE A 90 -14.764 20.764 8.057 1.00 24.44 C ATOM 1383 CG2 ILE A 90 -12.630 21.811 8.858 1.00 41.13 C ATOM 1384 CD1 ILE A 90 -15.631 21.904 8.544 1.00 10.43 C ATOM 0 H ILE A 90 -14.253 20.628 5.397 1.00 15.44 H new ATOM 0 HA ILE A 90 -13.959 23.077 6.805 1.00 62.33 H new ATOM 0 HB ILE A 90 -12.795 20.313 7.349 1.00 62.51 H new ATOM 0 HG12 ILE A 90 -15.242 20.296 7.197 1.00 24.44 H new ATOM 0 HG13 ILE A 90 -14.702 20.006 8.838 1.00 24.44 H new ATOM 0 HG21 ILE A 90 -12.604 21.093 9.678 1.00 41.13 H new ATOM 0 HG22 ILE A 90 -11.611 22.073 8.572 1.00 41.13 H new ATOM 0 HG23 ILE A 90 -13.159 22.708 9.179 1.00 41.13 H new ATOM 0 HD11 ILE A 90 -16.620 21.525 8.803 1.00 10.43 H new ATOM 0 HD12 ILE A 90 -15.175 22.358 9.424 1.00 10.43 H new ATOM 0 HD13 ILE A 90 -15.724 22.652 7.757 1.00 10.43 H new ATOM 1396 N ASN A 91 -11.569 23.784 6.588 1.00 75.15 N ATOM 1397 CA ASN A 91 -10.230 24.291 6.311 1.00 52.40 C ATOM 1398 C ASN A 91 -9.574 24.819 7.583 1.00 14.34 C ATOM 1399 O ASN A 91 -10.149 24.743 8.668 1.00 44.21 O ATOM 1400 CB ASN A 91 -10.289 25.400 5.258 1.00 44.32 C ATOM 1401 CG ASN A 91 -10.061 24.875 3.853 1.00 63.13 C ATOM 1402 OD1 ASN A 91 -9.964 23.667 3.638 1.00 53.22 O ATOM 1403 ND2 ASN A 91 -9.974 25.784 2.889 1.00 51.12 N ATOM 0 H ASN A 91 -12.148 24.407 7.152 1.00 75.15 H new ATOM 0 HA ASN A 91 -9.629 23.466 5.928 1.00 52.40 H new ATOM 0 HB2 ASN A 91 -11.261 25.892 5.306 1.00 44.32 H new ATOM 0 HB3 ASN A 91 -9.538 26.156 5.487 1.00 44.32 H new ATOM 0 HD21 ASN A 91 -9.821 25.491 1.924 1.00 51.12 H new ATOM 0 HD22 ASN A 91 -10.060 26.775 3.113 1.00 51.12 H new ATOM 1410 N ASN A 92 -8.365 25.354 7.442 1.00 21.11 N ATOM 1411 CA ASN A 92 -7.630 25.894 8.579 1.00 25.44 C ATOM 1412 C ASN A 92 -7.260 27.355 8.344 1.00 42.41 C ATOM 1413 O ASN A 92 -6.955 27.756 7.220 1.00 75.33 O ATOM 1414 CB ASN A 92 -6.366 25.070 8.834 1.00 12.33 C ATOM 1415 CG ASN A 92 -6.616 23.579 8.727 1.00 70.44 C ATOM 1416 OD1 ASN A 92 -5.836 22.850 8.113 1.00 14.31 O ATOM 1417 ND2 ASN A 92 -7.709 23.118 9.324 1.00 64.12 N ATOM 0 H ASN A 92 -7.874 25.425 6.551 1.00 21.11 H new ATOM 0 HA ASN A 92 -8.275 25.838 9.456 1.00 25.44 H new ATOM 0 HB2 ASN A 92 -5.597 25.359 8.118 1.00 12.33 H new ATOM 0 HB3 ASN A 92 -5.980 25.300 9.827 1.00 12.33 H new ATOM 0 HD21 ASN A 92 -7.930 22.123 9.285 1.00 64.12 H new ATOM 0 HD22 ASN A 92 -8.327 23.759 9.822 1.00 64.12 H new ATOM 1424 N LEU A 93 -7.289 28.146 9.410 1.00 31.22 N ATOM 1425 CA LEU A 93 -6.955 29.564 9.321 1.00 13.40 C ATOM 1426 C LEU A 93 -5.781 29.905 10.232 1.00 33.45 C ATOM 1427 O LEU A 93 -5.727 29.469 11.382 1.00 13.31 O ATOM 1428 CB LEU A 93 -8.169 30.417 9.693 1.00 61.04 C ATOM 1429 CG LEU A 93 -7.912 31.917 9.848 1.00 55.34 C ATOM 1430 CD1 LEU A 93 -7.281 32.484 8.587 1.00 52.14 C ATOM 1431 CD2 LEU A 93 -9.206 32.648 10.175 1.00 44.50 C ATOM 0 H LEU A 93 -7.540 27.830 10.347 1.00 31.22 H new ATOM 0 HA LEU A 93 -6.667 29.781 8.292 1.00 13.40 H new ATOM 0 HB2 LEU A 93 -8.934 30.277 8.930 1.00 61.04 H new ATOM 0 HB3 LEU A 93 -8.580 30.040 10.630 1.00 61.04 H new ATOM 0 HG LEU A 93 -7.216 32.064 10.674 1.00 55.34 H new ATOM 0 HD11 LEU A 93 -7.106 33.552 8.716 1.00 52.14 H new ATOM 0 HD12 LEU A 93 -6.333 31.981 8.397 1.00 52.14 H new ATOM 0 HD13 LEU A 93 -7.951 32.326 7.742 1.00 52.14 H new ATOM 0 HD21 LEU A 93 -9.005 33.714 10.282 1.00 44.50 H new ATOM 0 HD22 LEU A 93 -9.925 32.493 9.370 1.00 44.50 H new ATOM 0 HD23 LEU A 93 -9.617 32.261 11.108 1.00 44.50 H new ATOM 1443 N ILE A 94 -4.843 30.690 9.711 1.00 72.12 N ATOM 1444 CA ILE A 94 -3.672 31.093 10.478 1.00 23.02 C ATOM 1445 C ILE A 94 -3.481 32.605 10.437 1.00 33.42 C ATOM 1446 O ILE A 94 -3.769 33.251 9.429 1.00 24.54 O ATOM 1447 CB ILE A 94 -2.394 30.411 9.955 1.00 3.41 C ATOM 1448 CG1 ILE A 94 -1.198 30.773 10.838 1.00 44.30 C ATOM 1449 CG2 ILE A 94 -2.133 30.812 8.510 1.00 53.44 C ATOM 1450 CD1 ILE A 94 -0.293 29.599 11.141 1.00 55.11 C ATOM 0 H ILE A 94 -4.872 31.059 8.761 1.00 72.12 H new ATOM 0 HA ILE A 94 -3.846 30.779 11.507 1.00 23.02 H new ATOM 0 HB ILE A 94 -2.535 29.331 9.992 1.00 3.41 H new ATOM 0 HG12 ILE A 94 -0.616 31.552 10.346 1.00 44.30 H new ATOM 0 HG13 ILE A 94 -1.563 31.192 11.776 1.00 44.30 H new ATOM 0 HG21 ILE A 94 -1.227 30.322 8.154 1.00 53.44 H new ATOM 0 HG22 ILE A 94 -2.977 30.508 7.890 1.00 53.44 H new ATOM 0 HG23 ILE A 94 -2.009 31.893 8.449 1.00 53.44 H new ATOM 0 HD11 ILE A 94 0.533 29.929 11.771 1.00 55.11 H new ATOM 0 HD12 ILE A 94 -0.860 28.827 11.661 1.00 55.11 H new ATOM 0 HD13 ILE A 94 0.101 29.193 10.209 1.00 55.11 H new ATOM 1462 N HIS A 95 -2.991 33.165 11.539 1.00 31.02 N ATOM 1463 CA HIS A 95 -2.759 34.602 11.628 1.00 3.12 C ATOM 1464 C HIS A 95 -1.304 34.897 11.979 1.00 23.15 C ATOM 1465 O HIS A 95 -0.673 34.153 12.730 1.00 22.42 O ATOM 1466 CB HIS A 95 -3.684 35.226 12.673 1.00 44.24 C ATOM 1467 CG HIS A 95 -5.138 34.978 12.411 1.00 42.15 C ATOM 1468 ND1 HIS A 95 -6.090 34.962 13.407 1.00 4.04 N ATOM 1469 CD2 HIS A 95 -5.800 34.737 11.255 1.00 31.11 C ATOM 1470 CE1 HIS A 95 -7.276 34.720 12.877 1.00 35.13 C ATOM 1471 NE2 HIS A 95 -7.127 34.580 11.572 1.00 25.13 N ATOM 0 H HIS A 95 -2.747 32.645 12.382 1.00 31.02 H new ATOM 0 HA HIS A 95 -2.976 35.041 10.654 1.00 3.12 H new ATOM 0 HB2 HIS A 95 -3.428 34.830 13.656 1.00 44.24 H new ATOM 0 HB3 HIS A 95 -3.508 36.301 12.707 1.00 44.24 H new ATOM 0 HD1 HIS A 95 -5.908 35.113 14.399 1.00 4.04 H new ATOM 0 HD2 HIS A 95 -5.366 34.679 10.268 1.00 31.11 H new ATOM 0 HE1 HIS A 95 -8.208 34.649 13.418 1.00 35.13 H new ATOM 1479 N VAL A 96 -0.776 35.986 11.429 1.00 71.41 N ATOM 1480 CA VAL A 96 0.605 36.379 11.684 1.00 30.12 C ATOM 1481 C VAL A 96 0.680 37.801 12.229 1.00 32.13 C ATOM 1482 O VAL A 96 0.078 38.722 11.677 1.00 62.43 O ATOM 1483 CB VAL A 96 1.461 36.284 10.407 1.00 71.24 C ATOM 1484 CG1 VAL A 96 2.895 36.704 10.693 1.00 62.50 C ATOM 1485 CG2 VAL A 96 1.412 34.874 9.837 1.00 60.41 C ATOM 0 H VAL A 96 -1.284 36.612 10.804 1.00 71.41 H new ATOM 0 HA VAL A 96 0.999 35.687 12.428 1.00 30.12 H new ATOM 0 HB VAL A 96 1.050 36.966 9.663 1.00 71.24 H new ATOM 0 HG11 VAL A 96 3.485 36.630 9.779 1.00 62.50 H new ATOM 0 HG12 VAL A 96 2.908 37.733 11.051 1.00 62.50 H new ATOM 0 HG13 VAL A 96 3.321 36.050 11.453 1.00 62.50 H new ATOM 0 HG21 VAL A 96 2.022 34.825 8.935 1.00 60.41 H new ATOM 0 HG22 VAL A 96 1.797 34.170 10.575 1.00 60.41 H new ATOM 0 HG23 VAL A 96 0.382 34.616 9.592 1.00 60.41 H new ATOM 1495 N LYS A 97 1.424 37.974 13.316 1.00 13.43 N ATOM 1496 CA LYS A 97 1.581 39.284 13.936 1.00 32.32 C ATOM 1497 C LYS A 97 2.986 39.830 13.705 1.00 33.23 C ATOM 1498 O LYS A 97 3.970 39.094 13.782 1.00 53.25 O ATOM 1499 CB LYS A 97 1.296 39.198 15.437 1.00 23.44 C ATOM 1500 CG LYS A 97 -0.037 38.548 15.767 1.00 24.53 C ATOM 1501 CD LYS A 97 -0.331 38.604 17.256 1.00 41.45 C ATOM 1502 CE LYS A 97 -1.608 37.853 17.601 1.00 62.22 C ATOM 1503 NZ LYS A 97 -1.361 36.396 17.784 1.00 53.42 N1+ ATOM 0 H LYS A 97 1.928 37.222 13.786 1.00 13.43 H new ATOM 0 HA LYS A 97 0.865 39.965 13.475 1.00 32.32 H new ATOM 0 HB2 LYS A 97 2.095 38.634 15.918 1.00 23.44 H new ATOM 0 HB3 LYS A 97 1.316 40.202 15.860 1.00 23.44 H new ATOM 0 HG2 LYS A 97 -0.834 39.051 15.219 1.00 24.53 H new ATOM 0 HG3 LYS A 97 -0.028 37.510 15.436 1.00 24.53 H new ATOM 0 HD2 LYS A 97 0.505 38.176 17.809 1.00 41.45 H new ATOM 0 HD3 LYS A 97 -0.423 39.643 17.571 1.00 41.45 H new ATOM 0 HE2 LYS A 97 -2.037 38.266 18.514 1.00 62.22 H new ATOM 0 HE3 LYS A 97 -2.342 38.000 16.809 1.00 62.22 H new ATOM 0 HZ1 LYS A 97 -2.255 35.919 18.018 1.00 53.42 H new ATOM 0 HZ2 LYS A 97 -0.975 35.996 16.905 1.00 53.42 H new ATOM 0 HZ3 LYS A 97 -0.680 36.254 18.557 1.00 53.42 H new ATOM 1517 N LYS A 98 3.073 41.126 13.423 1.00 54.02 N ATOM 1518 CA LYS A 98 4.358 41.773 13.184 1.00 54.22 C ATOM 1519 C LYS A 98 5.214 41.766 14.447 1.00 33.52 C ATOM 1520 O LYS A 98 5.141 42.685 15.262 1.00 54.13 O ATOM 1521 CB LYS A 98 4.147 43.211 12.706 1.00 72.45 C ATOM 1522 CG LYS A 98 5.239 43.709 11.775 1.00 22.24 C ATOM 1523 CD LYS A 98 4.770 43.739 10.331 1.00 61.03 C ATOM 1524 CE LYS A 98 5.245 42.514 9.565 1.00 12.11 C ATOM 1525 NZ LYS A 98 6.717 42.535 9.342 1.00 62.45 N1+ ATOM 0 H LYS A 98 2.268 41.749 13.354 1.00 54.02 H new ATOM 0 HA LYS A 98 4.880 41.212 12.409 1.00 54.22 H new ATOM 0 HB2 LYS A 98 3.187 43.278 12.195 1.00 72.45 H new ATOM 0 HB3 LYS A 98 4.093 43.869 13.573 1.00 72.45 H new ATOM 0 HG2 LYS A 98 5.549 44.709 12.079 1.00 22.24 H new ATOM 0 HG3 LYS A 98 6.114 43.064 11.861 1.00 22.24 H new ATOM 0 HD2 LYS A 98 3.681 43.788 10.302 1.00 61.03 H new ATOM 0 HD3 LYS A 98 5.143 44.641 9.845 1.00 61.03 H new ATOM 0 HE2 LYS A 98 4.974 41.614 10.116 1.00 12.11 H new ATOM 0 HE3 LYS A 98 4.733 42.466 8.604 1.00 12.11 H new ATOM 0 HZ1 LYS A 98 6.914 42.525 8.321 1.00 62.45 H new ATOM 0 HZ2 LYS A 98 7.120 43.396 9.763 1.00 62.45 H new ATOM 0 HZ3 LYS A 98 7.147 41.699 9.786 1.00 62.45 H new ATOM 1539 N SER A 99 6.026 40.724 14.600 1.00 5.23 N ATOM 1540 CA SER A 99 6.894 40.597 15.764 1.00 54.21 C ATOM 1541 C SER A 99 8.250 41.245 15.504 1.00 15.23 C ATOM 1542 O SER A 99 8.941 41.662 16.434 1.00 12.25 O ATOM 1543 CB SER A 99 7.082 39.123 16.128 1.00 74.45 C ATOM 1544 OG SER A 99 7.724 38.417 15.080 1.00 71.51 O ATOM 0 H SER A 99 6.100 39.956 13.932 1.00 5.23 H new ATOM 0 HA SER A 99 6.419 41.112 16.599 1.00 54.21 H new ATOM 0 HB2 SER A 99 7.673 39.043 17.040 1.00 74.45 H new ATOM 0 HB3 SER A 99 6.113 38.670 16.336 1.00 74.45 H new ATOM 0 HG SER A 99 7.834 37.478 15.338 1.00 71.51 H new ATOM 1550 N ASP A 100 8.625 41.327 14.232 1.00 41.31 N ATOM 1551 CA ASP A 100 9.898 41.926 13.847 1.00 54.01 C ATOM 1552 C ASP A 100 9.920 43.415 14.175 1.00 20.12 C ATOM 1553 O ASP A 100 10.984 44.003 14.371 1.00 63.13 O ATOM 1554 CB ASP A 100 10.154 41.716 12.354 1.00 12.01 C ATOM 1555 CG ASP A 100 11.569 42.081 11.952 1.00 52.24 C ATOM 1556 OD1 ASP A 100 11.866 43.291 11.858 1.00 51.25 O ATOM 1557 OD2 ASP A 100 12.380 41.157 11.732 1.00 33.31 O1- ATOM 0 H ASP A 100 8.066 40.986 13.450 1.00 41.31 H new ATOM 0 HA ASP A 100 10.688 41.436 14.416 1.00 54.01 H new ATOM 0 HB2 ASP A 100 9.965 40.673 12.099 1.00 12.01 H new ATOM 0 HB3 ASP A 100 9.450 42.318 11.779 1.00 12.01 H new ATOM 1562 N PHE A 101 8.738 44.021 14.233 1.00 63.54 N ATOM 1563 CA PHE A 101 8.621 45.442 14.535 1.00 71.44 C ATOM 1564 C PHE A 101 8.793 45.697 16.030 1.00 52.32 C ATOM 1565 O PHE A 101 9.587 46.543 16.439 1.00 34.45 O ATOM 1566 CB PHE A 101 7.265 45.975 14.068 1.00 63.25 C ATOM 1567 CG PHE A 101 7.218 47.471 13.946 1.00 32.23 C ATOM 1568 CD1 PHE A 101 7.603 48.096 12.770 1.00 74.14 C ATOM 1569 CD2 PHE A 101 6.790 48.253 15.006 1.00 71.11 C ATOM 1570 CE1 PHE A 101 7.561 49.472 12.654 1.00 33.03 C ATOM 1571 CE2 PHE A 101 6.746 49.630 14.896 1.00 3.42 C ATOM 1572 CZ PHE A 101 7.133 50.241 13.719 1.00 74.12 C ATOM 0 H PHE A 101 7.848 43.549 14.075 1.00 63.54 H new ATOM 0 HA PHE A 101 9.413 45.967 14.001 1.00 71.44 H new ATOM 0 HB2 PHE A 101 7.023 45.532 13.102 1.00 63.25 H new ATOM 0 HB3 PHE A 101 6.496 45.651 14.769 1.00 63.25 H new ATOM 0 HD1 PHE A 101 7.940 47.500 11.935 1.00 74.14 H new ATOM 0 HD2 PHE A 101 6.487 47.781 15.929 1.00 71.11 H new ATOM 0 HE1 PHE A 101 7.862 49.946 11.732 1.00 33.03 H new ATOM 0 HE2 PHE A 101 6.409 50.228 15.730 1.00 3.42 H new ATOM 0 HZ PHE A 101 7.101 51.317 13.632 1.00 74.12 H new ATOM 1582 N GLU A 102 8.041 44.957 16.840 1.00 21.35 N ATOM 1583 CA GLU A 102 8.109 45.104 18.289 1.00 14.23 C ATOM 1584 C GLU A 102 9.436 44.577 18.828 1.00 60.31 C ATOM 1585 O GLU A 102 9.997 45.129 19.774 1.00 73.22 O ATOM 1586 CB GLU A 102 6.946 44.363 18.954 1.00 4.10 C ATOM 1587 CG GLU A 102 6.812 42.917 18.508 1.00 33.42 C ATOM 1588 CD GLU A 102 5.777 42.153 19.311 1.00 12.40 C ATOM 1589 OE1 GLU A 102 4.902 42.803 19.921 1.00 22.53 O ATOM 1590 OE2 GLU A 102 5.841 40.906 19.330 1.00 64.41 O1- ATOM 0 H GLU A 102 7.379 44.251 16.518 1.00 21.35 H new ATOM 0 HA GLU A 102 8.037 46.166 18.524 1.00 14.23 H new ATOM 0 HB2 GLU A 102 7.080 44.390 20.035 1.00 4.10 H new ATOM 0 HB3 GLU A 102 6.017 44.890 18.734 1.00 4.10 H new ATOM 0 HG2 GLU A 102 6.540 42.890 17.453 1.00 33.42 H new ATOM 0 HG3 GLU A 102 7.778 42.421 18.601 1.00 33.42 H new ATOM 1597 N VAL A 103 9.932 43.505 18.217 1.00 15.53 N ATOM 1598 CA VAL A 103 11.193 42.904 18.634 1.00 41.23 C ATOM 1599 C VAL A 103 12.362 43.469 17.835 1.00 24.20 C ATOM 1600 O VAL A 103 12.289 43.595 16.613 1.00 11.55 O ATOM 1601 CB VAL A 103 11.165 41.372 18.470 1.00 11.21 C ATOM 1602 CG1 VAL A 103 12.499 40.767 18.880 1.00 71.14 C ATOM 1603 CG2 VAL A 103 10.026 40.770 19.278 1.00 51.01 C ATOM 0 H VAL A 103 9.480 43.036 17.432 1.00 15.53 H new ATOM 0 HA VAL A 103 11.327 43.147 19.688 1.00 41.23 H new ATOM 0 HB VAL A 103 10.996 41.140 17.419 1.00 11.21 H new ATOM 0 HG11 VAL A 103 12.461 39.685 18.758 1.00 71.14 H new ATOM 0 HG12 VAL A 103 13.292 41.175 18.253 1.00 71.14 H new ATOM 0 HG13 VAL A 103 12.702 41.007 19.924 1.00 71.14 H new ATOM 0 HG21 VAL A 103 10.022 39.688 19.150 1.00 51.01 H new ATOM 0 HG22 VAL A 103 10.161 41.010 20.333 1.00 51.01 H new ATOM 0 HG23 VAL A 103 9.077 41.180 18.931 1.00 51.01 H new ATOM 1613 N PHE A 104 13.440 43.807 18.534 1.00 4.44 N ATOM 1614 CA PHE A 104 14.626 44.359 17.891 1.00 53.12 C ATOM 1615 C PHE A 104 15.536 43.246 17.379 1.00 20.21 C ATOM 1616 O PHE A 104 16.240 43.413 16.384 1.00 20.22 O ATOM 1617 CB PHE A 104 15.394 45.252 18.868 1.00 24.34 C ATOM 1618 CG PHE A 104 16.122 44.486 19.935 1.00 11.05 C ATOM 1619 CD1 PHE A 104 15.465 44.081 21.086 1.00 22.12 C ATOM 1620 CD2 PHE A 104 17.463 44.171 19.787 1.00 61.43 C ATOM 1621 CE1 PHE A 104 16.132 43.375 22.070 1.00 61.14 C ATOM 1622 CE2 PHE A 104 18.135 43.465 20.767 1.00 72.14 C ATOM 1623 CZ PHE A 104 17.469 43.068 21.910 1.00 73.40 C ATOM 0 H PHE A 104 13.517 43.708 19.546 1.00 4.44 H new ATOM 0 HA PHE A 104 14.301 44.958 17.041 1.00 53.12 H new ATOM 0 HB2 PHE A 104 16.112 45.854 18.310 1.00 24.34 H new ATOM 0 HB3 PHE A 104 14.697 45.944 19.340 1.00 24.34 H new ATOM 0 HD1 PHE A 104 14.420 44.320 21.216 1.00 22.12 H new ATOM 0 HD2 PHE A 104 17.989 44.481 18.896 1.00 61.43 H new ATOM 0 HE1 PHE A 104 15.609 43.064 22.962 1.00 61.14 H new ATOM 0 HE2 PHE A 104 19.180 43.224 20.639 1.00 72.14 H new ATOM 0 HZ PHE A 104 17.993 42.518 22.678 1.00 73.40 H new ATOM 1633 N ASP A 105 15.516 42.111 18.069 1.00 73.24 N ATOM 1634 CA ASP A 105 16.338 40.969 17.686 1.00 14.44 C ATOM 1635 C ASP A 105 15.496 39.701 17.587 1.00 70.40 C ATOM 1636 O ASP A 105 15.732 38.852 16.726 1.00 42.24 O ATOM 1637 CB ASP A 105 17.470 40.766 18.694 1.00 3.22 C ATOM 1638 CG ASP A 105 18.709 41.566 18.342 1.00 12.21 C ATOM 1639 OD1 ASP A 105 18.660 42.334 17.359 1.00 44.03 O ATOM 1640 OD2 ASP A 105 19.728 41.423 19.051 1.00 24.32 O1- ATOM 0 H ASP A 105 14.940 41.957 18.896 1.00 73.24 H new ATOM 0 HA ASP A 105 16.768 41.176 16.706 1.00 14.44 H new ATOM 0 HB2 ASP A 105 17.125 41.055 19.687 1.00 3.22 H new ATOM 0 HB3 ASP A 105 17.726 39.707 18.741 1.00 3.22 H new TER 1645 ASP A 105